Molecule ID: 40424388

IUPAC Name: (2R)-2-azaniumyl-3-prop-2-enylsulfanylpropanoate

Description: The molecule is an L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of S-allylcysteine. Major species at pH 7.3. It has a role as a metabolite. It is a tautomer of a S-allylcysteine.

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

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

InChI: InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 93.1 Ų
- LogP: -1.4