Molecule ID: 440875

IUPAC Name: (2S)-2-ethyl-2-hydroxy-3-oxobutanoic acid

Description: The molecule is a 3-oxo monocarboxylic acid that is butanoic acid in which the hydrogens at position 2 are replaced by an acetyl and a hydroxy group (the S enantiomer). It is a 3-oxo monocarboxylic acid, a hydroxy monocarboxylic acid and a tertiary alpha-hydroxy ketone. It derives from a butyric acid. It is a conjugate acid of a (S)-2-acetyl-2-hydroxybutanoate.

SMILES: CC[C@](O)(C(C)=O)C(=O)O

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

InChI: InChI=1S/C6H10O4/c1-3-6(10,4(2)7)5(8)9/h10H,3H2,1-2H3,(H,8,9)/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: -0.2