benzyl (2R)-2-{[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}-5-oxopyrrolidine-1-carboxylate

• ChemBase ID: 182787
• Molecular Formular: C23H24N2O6
• Molecular Mass: 424.44646
• Monoisotopic Mass: 424.1634365
• SMILES: N1(C(=O)OCc2ccccc2)[C@@H](C(=O)N[C@@H](C(=O)OC)Cc2ccccc2)CCC1=O
• Canonical SMILES: COC(=O)[C@H](NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C23H24N2O6/c1-30-22(28)18(14-16-8-4-2-5-9-16)24-21(27)19-12-13-20(26)25(19)23(29)31-15-17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3,(H,24,27)/t18-,19-/m1/s1
• InChIKey: DNPLFIZIWSCIOS-RTBURBONSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl (2R)-2-{[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}-5-oxopyrrolidine-1-carboxylate
• IUPAC Traditional name: benzyl (2R)-2-{[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}-5-oxopyrrolidine-1-carboxylate

Database IDs

• PubChem SID: 164238697
• PubChem CID: 16395535

CALCULATED PROPERTIES

• Acid pKa: 12.023986
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.708404
• LogD (pH = 7.4): 2.7083952
• Log P: 2.7084043
• Molar Refractivity: 110.5754 cm^3
• Polarizability: 43.437866 Å^3
• Polar Surface Area: 102.01 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds