Molecule ID: 86289281

IUPAC Name: (2S)-2-acetamido-4-azaniumylbutanoate

Description: The molecule is an amino acid zwitterion obtained by transfer of a proton from the amino to the carboxy group of (2S)-2-acetamido-4-aminobutanoic acid; major species at pH 7.3. It is a tautomer of a (2S)-2-acetamido-4-aminobutanoic acid.

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

SELFIES: [C][C][Branch1][C][O][=N][C@@H1][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][O]

InChI: InChI=1S/C6H12N2O3/c1-4(9)8-5(2-3-7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 96.9 Ų
- LogP: -3.2