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

Details

Stereochemistry ABSOLUTE
Molecular Formula C5H9BrO2
Molecular Weight 181.028
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-BROMOISOVALERIC ACID, (S)-

SMILES

CC(C)[C@H](Br)C(O)=O

InChI

InChIKey=UEBARDWJXBGYEJ-BYPYZUCNSA-N
InChI=1S/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)/t4-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
.ALPHA.-BROMOISOVALERIC ACID (S)-FORM [MI]
Preferred Name English
.ALPHA.-BROMOISOVALERIC ACID, (S)-
Common Name English
(S)-2-BROMOISOVALERIC ACID
Systematic Name English
(-)-2-BROMO-3-METHYLBUTYRIC ACID
Systematic Name English
(S)-2-BROMO-3-METHYLBUTANOIC ACID
Systematic Name English
BUTANOIC ACID, 2-BROMO-3-METHYL-, (2S)-
Systematic Name English
2-BROMOISOVALERIC ACID, (-)-
Common Name English
(S)-2-BROMO-3-METHYLBUTYRIC ACID
Systematic Name English
Code System Code Type Description
MERCK INDEX
m2702
Created by admin on Mon Mar 31 22:53:19 GMT 2025 , Edited by admin on Mon Mar 31 22:53:19 GMT 2025
PRIMARY Merck Index
CAS
26782-75-2
Created by admin on Mon Mar 31 22:53:19 GMT 2025 , Edited by admin on Mon Mar 31 22:53:19 GMT 2025
PRIMARY
FDA UNII
E1174557W4
Created by admin on Mon Mar 31 22:53:19 GMT 2025 , Edited by admin on Mon Mar 31 22:53:19 GMT 2025
PRIMARY
PUBCHEM
179487
Created by admin on Mon Mar 31 22:53:19 GMT 2025 , Edited by admin on Mon Mar 31 22:53:19 GMT 2025
PRIMARY
EPA CompTox
DTXSID801295753
Created by admin on Mon Mar 31 22:53:19 GMT 2025 , Edited by admin on Mon Mar 31 22:53:19 GMT 2025
PRIMARY