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Details

Stereochemistry ACHIRAL
Molecular Formula C11H11NO5
Molecular Weight 237.2087
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[(3-Carboxy-1-oxopropyl)amino]benzoic acid

SMILES

OC(=O)CCC(=O)NC1=CC(=CC=C1)C(O)=O

InChI

InChIKey=IKRKGFIXYILHIJ-UHFFFAOYSA-N
InChI=1S/C11H11NO5/c13-9(4-5-10(14)15)12-8-3-1-2-7(6-8)11(16)17/h1-3,6H,4-5H2,(H,12,13)(H,14,15)(H,16,17)

HIDE SMILES / InChI

Approval Year

Name Type Language
3-[(3-Carboxy-1-oxopropyl)amino]benzoic acid
Systematic Name English
3-((4-Oxidanyl-4-oxidanylidene-butanoyl)amino)benzoic acid
Preferred Name English
Benzoic acid, 3-[(3-carboxy-1-oxopropyl)amino]-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30353899
Created by admin on Wed Apr 02 05:57:23 GMT 2025 , Edited by admin on Wed Apr 02 05:57:23 GMT 2025
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CAS
259222-20-3
Created by admin on Wed Apr 02 05:57:23 GMT 2025 , Edited by admin on Wed Apr 02 05:57:23 GMT 2025
PRIMARY
PUBCHEM
757562
Created by admin on Wed Apr 02 05:57:23 GMT 2025 , Edited by admin on Wed Apr 02 05:57:23 GMT 2025
PRIMARY
FDA UNII
AKY95Z3R54
Created by admin on Wed Apr 02 05:57:23 GMT 2025 , Edited by admin on Wed Apr 02 05:57:23 GMT 2025
PRIMARY