Molecule ID: 440216

IUPAC Name: (2S)-2-amino-4-chloropent-4-enoic acid

Description: The molecule is an alpha-amino acid having a 2-chloro-2-propenyl group at the alpha-position and L-configuration. It is an organochlorine compound and a non-proteinogenic L-alpha-amino acid. It derives from a pent-4-enoic acid. It is a conjugate base of a L-2-amino-4-chloropent-4-enoate. It is a tautomer of a L-2-amino-4-chloropent-4-enoic acid zwitterion.

SMILES: C=C(Cl)C[C@H](N)C(=O)O

SELFIES: [C][=C][Branch1][C][Cl][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O]

InChI: InChI=1S/C5H8ClNO2/c1-3(6)2-4(7)5(8)9/h4H,1-2,7H2,(H,8,9)/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 63.3 Ų
- LogP: -1.8