Molecule ID: 5460822

IUPAC Name: (2S)-2-amino-3-(4-hydroxyphenyl)propanoate

Description: The molecule is an optically active form of tyrosinate having L-configuration. It has a role as a fundamental metabolite. It is a tyrosinate(1-) and a L-alpha-amino acid anion. It is a conjugate base of a L-tyrosine and a L-tyrosine zwitterion. It is a conjugate acid of a L-tyrosinate(2-). It is an enantiomer of a D-tyrosinate(1-).

SMILES: N[C@@H](Cc1ccc([O-])cc1)C(=O)O

SELFIES: [N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O-1][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p-1/t8-/m0/s1

Molecular Properties:
- Polar Surface Area: 86.4 Ų
- LogP: -1.6