Molecule ID: 6971294

IUPAC Name: (2S)-2-azaniumyl-3-(3-hydroxy-4-oxopyridin-1-yl)propanoate

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-mimosine; major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a tautomer of a L-mimosine.

SMILES: N[C@@H](Cn1ccc(=O)c(O)c1)C(=O)O

SELFIES: [N][C@@H1][Branch1][S][C][N][C][=C][C][=Branch1][C][=O][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 108.0 Ų
- LogP: -2.8