Molecule ID: 22

IUPAC Name: 2-hydroxy-2-methyl-3-oxobutanoic acid

Description: The molecule is a derivative of butyric acid having methyl, hydroxy and oxo substituents at the 2-, 2- and 3-positions respectively. It has a role as a mouse metabolite. It is a 3-oxo monocarboxylic acid, a 2-hydroxy monocarboxylic acid and a tertiary alpha-hydroxy ketone. It derives from a butyric acid. It is a conjugate acid of a 2-acetyllactate.

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

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

InChI: InChI=1S/C5H8O4/c1-3(6)5(2,9)4(7)8/h9H,1-2H3,(H,7,8)

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: -0.7