Molecule ID: 25202061

IUPAC Name: (2S)-2-azaniumyl-4-chloropent-4-enoate

Description: The molecule is an L-alpha-amino acid zwitterion obtained from L-2-amino-4-chloropent-4-enoic acid by transfer of a proton from the carboxy group to the amino group. It is the major species at pH 7.3. It is a tautomer of a L-2-amino-4-chloropent-4-enoic acid.

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: 67.8 Ų
- LogP: -1.2