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

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H14N2O4
Molecular Weight 250.2506
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[[[(2S,4S)-4-Hydroxy-2-pyrrolidinyl]carbonyl]amino]benzoic acid

SMILES

O[C@@H]1CN[C@@H](C1)C(=O)NC2=CC(=CC=C2)C(O)=O

InChI

InChIKey=IQPYLVCJTJLSDO-UWVGGRQHSA-N
InChI=1S/C12H14N2O4/c15-9-5-10(13-6-9)11(16)14-8-3-1-2-7(4-8)12(17)18/h1-4,9-10,13,15H,5-6H2,(H,14,16)(H,17,18)/t9-,10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H14N2O4
Molecular Weight 250.2506
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:17:31 GMT 2023
Edited
by admin
on Sat Dec 16 20:17:31 GMT 2023
Record UNII
G7X6668XQX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[[[(2S,4S)-4-Hydroxy-2-pyrrolidinyl]carbonyl]amino]benzoic acid
Systematic Name English
Benzoic acid, 3-[[[(2S,4S)-4-hydroxy-2-pyrrolidinyl]carbonyl]amino]-
Systematic Name English
Code System Code Type Description
PUBCHEM
11129908
Created by admin on Sat Dec 16 20:17:31 GMT 2023 , Edited by admin on Sat Dec 16 20:17:31 GMT 2023
PRIMARY
CAS
266337-30-8
Created by admin on Sat Dec 16 20:17:31 GMT 2023 , Edited by admin on Sat Dec 16 20:17:31 GMT 2023
PRIMARY
FDA UNII
G7X6668XQX
Created by admin on Sat Dec 16 20:17:31 GMT 2023 , Edited by admin on Sat Dec 16 20:17:31 GMT 2023
PRIMARY