Molecule ID: 6971050

IUPAC Name: (2R,3R)-2-azaniumyl-3-hydroxybutanoate

Description: The molecule is a D-alpha-amino acid zwitterion that is D-allothreonine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3. It is a tautomer of a D-allothreonine.

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

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

InChI: InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m1/s1

Molecular Properties:
- Polar Surface Area: 88.0 Ų
- LogP: -2.3