Molecule ID: 129011075

IUPAC Name: (3S)-6-acetamido-3-azaniumylhexanoate

Description: The molecule is a 6-acetamido-3-aminohexanoic acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of (3S)-6-acetamido-3-aminohexanoic acid; major species at pH 7.3. It is a tautomer of a (S)-6-acetamido-3-aminohexanoic acid.

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

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

InChI: InChI=1S/C8H16N2O3/c1-6(11)10-4-2-3-7(9)5-8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 96.9 Ų
- LogP: -2.8