Molecule ID: 5460819

IUPAC Name: [(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]azanium

Description: The molecule is an optically active form of tyrosinium having L-configuration. It has a role as a fundamental metabolite. It is a conjugate acid of a L-tyrosine and a L-tyrosine zwitterion. It is an enantiomer of a D-tyrosinium.

SMILES: [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)O

SELFIES: [NH3+1][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][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: 85.2 Ų
- LogP: -2.3