Molecule ID: 6989908

IUPAC Name: (2R)-2-azaniumyl-3-(3,4-dihydroxyphenyl)propanoate

Description: The molecule is an amino acid zwitterion obtained from the transfer of a proton from the carboxy group to the amino group of D-dopa. Major microspecies at pH 7.3. It is an enantiomer of a L-dopa zwitterion. It is a tautomer of a D-dopa.

SMILES: N[C@H](Cc1ccc(O)c(O)c1)C(=O)O

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

InChI: InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m1/s1

Molecular Properties:
- Polar Surface Area: 108.0 Ų
- LogP: -2.1