ethyl 2-{[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino}acetate

• ChemBase ID: 310737
• Molecular Formular: C14H15FN2O4
• Molecular Mass: 294.2783032
• Monoisotopic Mass: 294.10158519
• SMILES: N1(C(=O)CC(C1=O)NCC(=O)OCC)c1ccc(cc1)F
• Canonical SMILES: CCOC(=O)CNC1CC(=O)N(C1=O)c1ccc(cc1)F
• InChI: InChI=1S/C14H15FN2O4/c1-2-21-13(19)8-16-11-7-12(18)17(14(11)20)10-5-3-9(15)4-6-10/h3-6,11,16H,2,7-8H2,1H3
• InChIKey: QACWMXBUFFUDHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-{[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino}acetate
• IUPAC Traditional name: ethyl 2-{[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino}acetate
• Synonyms: ethyl N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]glycinate

Database IDs

• CAS Number: 340703-52-8
• MDL Number: MFCD00717098

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.58703476
• LogD (pH = 7.4): 0.6216308
• Log P: 0.62209034
• Molar Refractivity: 70.5447 cm^3
• Polarizability: 27.678724 Å^3
• Polar Surface Area: 75.71 Å^2