Molecule ID: 6950182

IUPAC Name: (2S,3R)-2-azaniumyl-3-methylpentanoate

Description: The molecule is an amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of L-alloisoleucine; major species at pH 7.3. It is an enantiomer of a D-alloisoleucine zwitterion. It is a tautomer of a L-alloisoleucine.

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

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

InChI: InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m1/s1

Molecular Properties:
- Polar Surface Area: 67.8 Ų
- LogP: -1.1