Molecule ID: 123991

IUPAC Name: 2-aminoprop-2-enoic acid

Description: The molecule is a 2,3-dehydroamino acid that is alanine which has been dehydrogenated to introduce a double bond between positions 2 and 3. It has a role as an alkylating agent, a human metabolite and a mouse metabolite. It is an enamine, an alpha,beta-unsaturated monocarboxylic acid, a non-proteinogenic alpha-amino acid and a 2,3-dehydroamino acid. It is a conjugate acid of a 2-aminoacrylate. It is a tautomer of a 2-ammonioprop-2-enoate, a 2-iminopropionic acid and a 2-iminiopropionate.

SMILES: C=C(N)C(=O)O

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

InChI: InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)

Molecular Properties:
- Polar Surface Area: 63.3 Ų
- LogP: -0.1