Molecule ID: 99823

IUPAC Name: 2-hydroxy-3-methylbutanoic acid

Description: The molecule is a valine derivative that is valine in which the amino group has been replaced by a hydroxy group. It has a role as a human metabolite. It derives from an isovaleric acid. It is a conjugate acid of a 2-hydroxy-3-methylbutyrate.

SMILES: CC(C)C(O)C(=O)O

SELFIES: [C][C][Branch1][C][C][C][Branch1][C][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 0.5