Molecule ID: 71668376

IUPAC Name: (2S)-2-azaniumyl-2-(3,5-dihydroxyphenyl)acetate

Description: The molecule is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of (S)-3,5-dihydroxyphenylglycine. It is a tautomer of a (S)-3,5-dihydroxyphenylglycine.

SMILES: N[C@H](C(=O)O)c1cc(O)cc(O)c1

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

InChI: InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 108.0 Ų
- LogP: -1.8