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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H10O3
Molecular Weight 130.1418
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYL-3-OXOPENTANOIC ACID

SMILES

CC(C)C(=O)CC(O)=O

InChI

InChIKey=ZXLSKTZECNUVIS-UHFFFAOYSA-N
InChI=1S/C6H10O3/c1-4(2)5(7)3-6(8)9/h4H,3H2,1-2H3,(H,8,9)

HIDE SMILES / InChI

Approval Year

Name Type Language
4-METHYL-3-OXOPENTANOIC ACID
Systematic Name English
4-METHYL-3-OXOVALERIC ACID
Systematic Name English
BETA-KETOISOCAPROIC ACID
Common Name English
VALERIC ACID, 4-METHYL-3-OXO-
Systematic Name English
3-HYDROXY-4-METHYL-2-PENTENOIC ACID
Systematic Name English
ISOBUTYRYLACETIC ACID
Systematic Name English
2-PENTENOIC ACID, 3-HYDROXY-4-METHYL-
Systematic Name English
ISOBUTANOYLACETIC ACID
Systematic Name English
Code System Code Type Description
CHEBI
29024
Created by admin on Sat Dec 16 17:03:47 GMT 2023 , Edited by admin on Sat Dec 16 17:03:47 GMT 2023
PRIMARY
WIKIPEDIA
beta-Ketoisocaproic acid
Created by admin on Sat Dec 16 17:03:47 GMT 2023 , Edited by admin on Sat Dec 16 17:03:47 GMT 2023
PRIMARY
CHEBI
86365
Created by admin on Sat Dec 16 17:03:47 GMT 2023 , Edited by admin on Sat Dec 16 17:03:47 GMT 2023
PRIMARY
CAS
109417-74-5
Created by admin on Sat Dec 16 17:03:47 GMT 2023 , Edited by admin on Sat Dec 16 17:03:47 GMT 2023
ALTERNATIVE
EPA CompTox
DTXSID60331463
Created by admin on Sat Dec 16 17:03:47 GMT 2023 , Edited by admin on Sat Dec 16 17:03:47 GMT 2023
PRIMARY
CAS
5650-76-0
Created by admin on Sat Dec 16 17:03:47 GMT 2023 , Edited by admin on Sat Dec 16 17:03:47 GMT 2023
PRIMARY
FDA UNII
FWW4Q5U8HP
Created by admin on Sat Dec 16 17:03:47 GMT 2023 , Edited by admin on Sat Dec 16 17:03:47 GMT 2023
PRIMARY
PUBCHEM
440024
Created by admin on Sat Dec 16 17:03:47 GMT 2023 , Edited by admin on Sat Dec 16 17:03:47 GMT 2023
PRIMARY