Molecule ID: 96800

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

Description: The molecule is the L-stereoisomer of N-(2,4-dinitrophenyl)serine, an L-serine derivative having a 2,4-dinitrophenyl) substituent on nitrogen. It is a C-nitro compound and a L-serine derivative. It contains a hydroxymethyl group.

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

SELFIES: [O][=C][Branch1][C][O][C@H1][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)/t7-/m0/s1

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