methyl 2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]acetate

• ChemBase ID: 311245
• Molecular Formular: C13H14N2O4
• Molecular Mass: 262.26126
• Monoisotopic Mass: 262.09535694
• SMILES: N1(C(=O)CC(C1=O)NCC(=O)OC)c1ccccc1
• Canonical SMILES: COC(=O)CNC1CC(=O)N(C1=O)c1ccccc1
• InChI: InChI=1S/C13H14N2O4/c1-19-12(17)8-14-10-7-11(16)15(13(10)18)9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3
• InChIKey: JCVSLSAFAIQADW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]acetate
• IUPAC Traditional name: methyl 2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]acetate
• Synonyms: methyl N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)glycinate

Database IDs

• CAS Number: 471917-05-2
• MDL Number: MFCD01975325

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.087749705
• LogD (pH = 7.4): 0.122123964
• Log P: 0.122580454
• Molar Refractivity: 65.5797 cm^3
• Polarizability: 26.097286 Å^3
• Polar Surface Area: 75.71 Å^2