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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H11NO3
Molecular Weight 205.2099
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(5-HYDROXY-2-METHYL-1H-INDOL-3-YL)ACETIC ACID

SMILES

CC1=C(CC(O)=O)C2=CC(O)=CC=C2N1

InChI

InChIKey=FDADMESSMPJUJC-UHFFFAOYSA-N
InChI=1S/C11H11NO3/c1-6-8(5-11(14)15)9-4-7(13)2-3-10(9)12-6/h2-4,12-13H,5H2,1H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C11H11NO3
Molecular Weight 205.2099
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:30:15 UTC 2023
Edited
by admin
on Sat Dec 16 13:30:15 UTC 2023
Record UNII
UYW56F3GVS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(5-HYDROXY-2-METHYL-1H-INDOL-3-YL)ACETIC ACID
Systematic Name English
1H-INDOLE-3-ACETIC ACID, 5-HYDROXY-2-METHYL-
Systematic Name English
5-HYDROXY-2-METHYL-1H-INDOLE-3-ACETIC ACID
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00461930
Created by admin on Sat Dec 16 13:30:15 UTC 2023 , Edited by admin on Sat Dec 16 13:30:15 UTC 2023
PRIMARY
PUBCHEM
11310252
Created by admin on Sat Dec 16 13:30:15 UTC 2023 , Edited by admin on Sat Dec 16 13:30:15 UTC 2023
PRIMARY
CAS
50995-53-4
Created by admin on Sat Dec 16 13:30:15 UTC 2023 , Edited by admin on Sat Dec 16 13:30:15 UTC 2023
PRIMARY
FDA UNII
UYW56F3GVS
Created by admin on Sat Dec 16 13:30:15 UTC 2023 , Edited by admin on Sat Dec 16 13:30:15 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE