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

Details

Stereochemistry ABSOLUTE
Molecular Formula C5H10O2
Molecular Weight 102.1317
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYLBUTYRIC ACID, (S)-

SMILES

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

InChI

InChIKey=WLAMNBDJUVNPJU-BYPYZUCNSA-N
InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m0/s1

HIDE SMILES / InChI

Molecular Formula C5H10O2
Molecular Weight 102.1317
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
5N31513I0N
Record Status Validated (UNII)
Record Version