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

• ChemBase ID: 311240
• Molecular Formular: C14H16N2O5
• Molecular Mass: 292.28724
• Monoisotopic Mass: 292.10592162
• SMILES: N1(C(=O)CC(C1=O)NCC(=O)OC)c1ccc(cc1)OC
• Canonical SMILES: COC(=O)CNC1CC(=O)N(C1=O)c1ccc(cc1)OC
• InChI: InChI=1S/C14H16N2O5/c1-20-10-5-3-9(4-6-10)16-12(17)7-11(14(16)19)15-8-13(18)21-2/h3-6,11,15H,7-8H2,1-2H3
• InChIKey: OXEAIHDMZQISBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 471917-79-0
• MDL Number: MFCD01907601

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.07105563
• LogD (pH = 7.4): -0.035562772
• Log P: -0.03509081
• Molar Refractivity: 72.0429 cm^3
• Polarizability: 28.644049 Å^3
• Polar Surface Area: 84.94 Å^2