Molecule ID: 56927948

IUPAC Name: 2-[[5-(4-nitrophenoxy)-5-oxopentanoyl]amino]acetic acid

Description: The molecule is a glycine derivative whose structure comprises a glycine core carrying an N-[5-(p-nitrophenoxy)-5-oxopentanoyl] substituent. It is a glycine derivative, a C-nitro compound and a carboxylic ester.

SMILES: O=C(O)CN=C(O)CCCC(=O)Oc1ccc([N+](=O)[O-])cc1

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

InChI: InChI=1S/C13H14N2O7/c16-11(14-8-12(17)18)2-1-3-13(19)22-10-6-4-9(5-7-10)15(20)21/h4-7H,1-3,8H2,(H,14,16)(H,17,18)

Molecular Properties:
- Polar Surface Area: 139.0 Ų
- LogP: 0.6