Molecule ID: 40561613

IUPAC Name: (2S,3R,4S)-2-azaniumyl-4-hydroxy-3-methylpentanoate

Description: The molecule is an amino acid zwitterion resulting from a transfer of a proton from the carboxy to the amino group of (4S)-4-hydroxy-L-isoleucine; major species at pH 7.3. It has a role as a plant metabolite. It is a tautomer of a (4S)-4-hydroxy-L-isoleucine.

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

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

InChI: InChI=1S/C6H13NO3/c1-3(4(2)8)5(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t3-,4-,5-/m0/s1

Molecular Properties:
- Polar Surface Area: 88.0 Ų
- LogP: -2.2