Molecule ID: 56927947

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

Description: The molecule is a glycine derivative whose structure comprises a glycine core carrying an N-[5-(p-nitrobenzyloxy)-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)OCc1ccc([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][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]

InChI: InChI=1S/C14H16N2O7/c17-12(15-8-13(18)19)2-1-3-14(20)23-9-10-4-6-11(7-5-10)16(21)22/h4-7H,1-3,8-9H2,(H,15,17)(H,18,19)

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