Molecule ID: 259582

IUPAC Name: 2-(2,4-dinitroanilino)-3-hydroxypropanoic acid

Description: The molecule is a serine derivative having a 2,4-dinitrophenyl substituent on nitrogen. It is a C-nitro compound, a serine derivative and a non-proteinogenic alpha-amino acid. It contains a hydroxymethyl group. It derives from a serine.

SMILES: O=C(O)C(CO)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

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

InChI: InChI=1S/C9H9N3O7/c13-4-7(9(14)15)10-6-2-1-5(11(16)17)3-8(6)12(18)19/h1-3,7,10,13H,4H2,(H,14,15)

Molecular Properties:
- Polar Surface Area: 161.0 Ų
- LogP: 1.2