Molecule ID: 21923198

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

Description: The molecule is a non-proteinogenic alpha-amino acid that is tyrosine substituted by a nitro group at position 2. It is a nitrotyrosine and a member of 3-nitrophenols.

SMILES: NC(Cc1ccc(O)cc1[N+](=O)[O-])C(=O)O

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

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

Molecular Properties:
- Polar Surface Area: 129.0 Ų
- LogP: -1.9