Molecule ID: 19166

IUPAC Name: 2-methylidenebutanoic acid

Description: The molecule is an alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which the hydrogen at position 2 is substituted by an ethyl group. It has a role as a mammalian metabolite. It derives from an acrylic acid. It is a conjugate acid of a 2-ethylacrylate.

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

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

InChI: InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h2-3H2,1H3,(H,6,7)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 1.2