Molecule ID: 5460811

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

Description: The molecule is an optically active form of tyrosinium having D-configuration. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a D-tyrosine. It is an enantiomer of a L-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-/m1/s1

Molecular Properties:
- Polar Surface Area: 85.2 Ų
- LogP: -2.3