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

Details

Stereochemistry RACEMIC
Molecular Formula C5H11NO2
Molecular Weight 117.1463
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOVALINE, DL-

SMILES

CCC(C)(N)C(O)=O

InChI

InChIKey=GCHPUFAZSONQIV-UHFFFAOYSA-N
InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)

HIDE SMILES / InChI

Molecular Formula C5H11NO2
Molecular Weight 117.1463
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
JUL973T11C
Record Status Validated (UNII)
Record Version