Molecule ID: 20146209

IUPAC Name: 2-(hydroxymethyl)butanoate

Description: The molecule is a hydroxy fatty acid anion that is the conjugate base of 2-(hydroxymethyl)butanoic acid. It has a role as a human metabolite. It is a conjugate base of a 2-ethylhydracrylic acid.

SMILES: CCC(CO)C(=O)[O-]

SELFIES: [C][C][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C5H10O3/c1-2-4(3-6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/p-1

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 0.6