Molecule ID: 235719

IUPAC Name: 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid

Description: The molecule is a nitrotyrosine comprising tyrosine having a nitro group at the 3-position on the phenyl ring. It is a nitrotyrosine, a non-proteinogenic alpha-amino acid, a member of 2-nitrophenols and a C-nitro compound.

SMILES: NC(Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O

SELFIES: [N][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][C][=Branch1][C][=O][O]

InChI: InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)

Molecular Properties:
- Polar Surface Area: 129.0 Ų
- LogP: -2.0