Home Structure This Compound
loading

Structure of Methyl 3-(4-boronobenzamido)propionate (C11H14BNO5)

Powered by CC-DPS Delivering 2,100+ Information Sets per Compound.

2D chemical structure image of Methyl 3-(4-boronobenzamido)propionate
Chemical Formula C11H14BNO5
Molecular Weight 251.04356 g/mol
IUPAC Name {4-[(3-methoxy-3-oxopropyl)carbamoyl]phenyl}boronic acid
SMILES String COC(=O)CCNC(=O)c1ccc(cc1)B(O)O
InChI InChI=1S/C11H14BNO5/c1-18-10(14)6-7-13-11(15)8-2-4-9(5-3-8)12(16)17/h2-5,16-17H,6-7H2,1H3,(H,13,15)
InChIKey NROXSDVUSUSOLU-UHFFFAOYSA-N
Citation CC-DPS (Chemical Compounds Deep Profiling Services; https://www.cc-dps.com) powered by 41 patented QSQN technology based on Quantum Chemistry, Statistical Thermodynamics, Quantitative Structure-Property Relationship (QSPR), and Neural Network.

Content on this page is sourced from CC-DPS (Chemical Compounds Deep Profiling Services), which provides more than 2,100 additional essential information sets for each chemical compound. Discover CC-DPS

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Methyl 3-(4-boronobenzamido)propionate molecule contains a total of 32 bond(s). There are 18 non-H bond(s), 8 multiple bond(s), 6 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 ester(s) (aliphatic), 1 secondary amide(s) (aromatic), and 2 hydroxyl group(s). Images of the chemical structure of Methyl 3-(4-boronobenzamido)propionate are given below:

2D chemical structure image of Methyl 3-(4-boronobenzamido)propionate
2-dimensional (2D) chemical structure image of Methyl 3-(4-boronobenzamido)propionate
3D chemical structure image of Methyl 3-(4-boronobenzamido)propionate
3-dimensional (3D) chemical structure image of Methyl 3-(4-boronobenzamido)propionate

The 2D chemical structure image of Methyl 3-(4-boronobenzamido)propionate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Methyl 3-(4-boronobenzamido)propionate are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Methyl 3-(4-boronobenzamido)propionate is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Methyl 3-(4-boronobenzamido)propionate. Download structure data file (SDF/MOL) file of this compound.


Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of Methyl 3-(4-boronobenzamido)propionate is provided here.

The Methyl 3-(4-boronobenzamido)propionate molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the Methyl 3-(4-boronobenzamido)propionate molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of Methyl 3-(4-boronobenzamido)propionate can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.


Search Another Chemical Structure

Enter another compound to search for chemical structure:

Input a chemical compound consisting of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As atom(s)

Input example for Ethanol:

  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Additional Information for Identifying Methyl 3-(4-boronobenzamido)propionate Molecule

  • Other names (synonyms) or registry numbers of Methyl 3-(4-boronobenzamido)propionate

    The Methyl 3-(4-boronobenzamido)propionate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Methyl 3-(4-boronobenzamido)propionate including the various registry numbers, if available:

    • 4-[(3-methoxy-3-oxopropyl)carbamoyl]phenylboronic acid
    • I01-10607
    • B-4243
    • V9657
    • Methyl N-(4-boronobenzoyl)-beta-alaninate
    • Methyl 3-(4-boronobenzoylamino)propionate
    • RTR-029850
    • methyl 3-(4-boronobenzamido)propanoate
    • MFCD09475830
    • ANW-40573
    • (4-((3-Methoxy-3-oxopropyl)carbamoyl)phenyl)boronic acid
    • 4-[(3-Methoxy-3-oxopropyl)carbamoyl]benzeneboronic acid
    • 957034-76-3
    • Methyl 3-(4-boronobenzamido)propionate

Methyl 3-(4-boronobenzamido)propionate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Methyl 3-(4-boronobenzamido)propionate?
C11H14BNO5
How many atoms and what are the elements included the Methyl 3-(4-boronobenzamido)propionate molecule?
32 atom(s) - 14 Hydrogen atom(s), 11 Carbon atom(s), 1 Nitrogen atom(s), 5 Oxygen atom(s), and 1 Boron atom(s)
How many chemical bonds and what kind of bonds are included the Methyl 3-(4-boronobenzamido)propionate structure?
32 bond(s) - 18 non-H bond(s), 8 multiple bond(s), 6 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 ester(s) (aliphatic), 1 secondary amide(s) (aromatic), and 2 hydroxyl group(s)
What’s the Methyl 3-(4-boronobenzamido)propionate’s molecular weight?
251.04356 g/mol
What’s the SMILES code of Methyl 3-(4-boronobenzamido)propionate?
COC(=O)CCNC(=O)c1ccc(cc1)B(O)O
What’s the InChI string of Methyl 3-(4-boronobenzamido)propionate?
InChI=1S/C11H14BNO5/c1-18-10(14)6-7-13-11(15)8-2-4-9(5-3-8)12(16)17/h2-5,16-17H,6-7H2,1H3,(H,13,15)
What’s the InChIKey code of Methyl 3-(4-boronobenzamido)propionate?
NROXSDVUSUSOLU-UHFFFAOYSA-N