Molecule ID: 96807

IUPAC Name: (2S)-1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylic acid

Description: The molecule is the L-stereoisomer of N-(2,4-dinitrophenyl)proline, a proline derivative having a 2,4-dinitrophenyl substituent on nitrogen. It is a member of pyrrolidines, a C-nitro compound, a L-proline derivative and a non-proteinogenic L-alpha-amino acid.

SMILES: O=C(O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

SELFIES: [O][=C][Branch1][C][O][C@@H1][C][C][C][N][Ring1][Branch1][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/C11H11N3O6/c15-11(16)9-2-1-5-12(9)8-4-3-7(13(17)18)6-10(8)14(19)20/h3-4,6,9H,1-2,5H2,(H,15,16)/t9-/m0/s1

Molecular Properties:
- Polar Surface Area: 132.0 Ų
- LogP: 1.8