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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H13NO3
Molecular Weight 219.2365
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(5-METHOXY-1H-INDOL-3-YL)PROPANOIC ACID

SMILES

COC1=CC2=C(NC=C2CCC(O)=O)C=C1

InChI

InChIKey=ZLSZCJIWILJKMR-UHFFFAOYSA-N
InChI=1S/C12H13NO3/c1-16-9-3-4-11-10(6-9)8(7-13-11)2-5-12(14)15/h3-4,6-7,13H,2,5H2,1H3,(H,14,15)

HIDE SMILES / InChI

Approval Year

Name Type Language
1H-INDOLE-3-PROPIONIC ACID, 5-METHOXY-
Preferred Name English
3-(5-METHOXY-1H-INDOL-3-YL)PROPANOIC ACID
Systematic Name English
5-METHOXY-3-INDOLEPROPIONIC ACID
Systematic Name English
5-METHOXY-1H-INDOLE-3-PROPANOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
CS268A9K9W
Created by admin on Tue Apr 01 16:36:36 GMT 2025 , Edited by admin on Tue Apr 01 16:36:36 GMT 2025
PRIMARY
DRUG BANK
DB07723
Created by admin on Tue Apr 01 16:36:36 GMT 2025 , Edited by admin on Tue Apr 01 16:36:36 GMT 2025
PRIMARY
EPA CompTox
DTXSID60960156
Created by admin on Tue Apr 01 16:36:36 GMT 2025 , Edited by admin on Tue Apr 01 16:36:36 GMT 2025
PRIMARY
PUBCHEM
181137
Created by admin on Tue Apr 01 16:36:36 GMT 2025 , Edited by admin on Tue Apr 01 16:36:36 GMT 2025
PRIMARY
CAS
39547-16-5
Created by admin on Tue Apr 01 16:36:36 GMT 2025 , Edited by admin on Tue Apr 01 16:36:36 GMT 2025
PRIMARY