Molecule ID: 18454345

IUPAC Name: 2-iminobutanoic acid

Description: The molecule is a dehydroamino acid that is 2-aminobutanoic acid in which the amino group has been oxidised to the corresponding imine. It is a dehydroamino acid, a ketimine and a monocarboxylic acid. It is a tautomer of a 2-iminobutanoic acid zwitterion, a 2-aminobut-2-enoic acid zwitterion and a 2-aminobut-2-enoic acid.

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

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

InChI: InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h5H,2H2,1H3,(H,6,7)

Molecular Properties:
- Polar Surface Area: 61.2 Ų
- LogP: 0.2