U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H14N2O3
Molecular Weight 234.2512
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[[(2S)-2-Pyrrolidinylcarbonyl]amino]benzoic acid

SMILES

OC(=O)C1=CC=CC(NC(=O)[C@@H]2CCCN2)=C1

InChI

InChIKey=HMZQASVDGDUUMS-JTQLQIEISA-N
InChI=1S/C12H14N2O3/c15-11(10-5-2-6-13-10)14-9-4-1-3-8(7-9)12(16)17/h1,3-4,7,10,13H,2,5-6H2,(H,14,15)(H,16,17)/t10-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3-[[(2S)-2-Pyrrolidinylcarbonyl]amino]benzoic acid
Systematic Name English
Benzoic acid, 3-[[(2S)-2-pyrrolidinylcarbonyl]amino]-
Systematic Name English
3-[(2S)-Pyrrolidine-2-amido]benzoic acid
Systematic Name English
Code System Code Type Description
FDA UNII
K7R5KQJ4EY
Created by admin on Sat Dec 16 19:56:07 GMT 2023 , Edited by admin on Sat Dec 16 19:56:07 GMT 2023
PRIMARY
CAS
724700-26-9
Created by admin on Sat Dec 16 19:56:07 GMT 2023 , Edited by admin on Sat Dec 16 19:56:07 GMT 2023
PRIMARY
PUBCHEM
10934546
Created by admin on Sat Dec 16 19:56:07 GMT 2023 , Edited by admin on Sat Dec 16 19:56:07 GMT 2023
PRIMARY