1-benzyl 2-methyl pyrrolidine-1,2-dicarboxylate

• ChemBase ID: 813486
• Molecular Formular: C14H17NO4
• Molecular Mass: 263.28908
• Monoisotopic Mass: 263.11575803
• SMILES: N1(C(CCC1)C(=O)OC)C(=O)OCc1ccccc1
• Canonical SMILES: COC(=O)C1CCCN1C(=O)OCc1ccccc1
• InChI: InChI=1S/C14H17NO4/c1-18-13(16)12-8-5-9-15(12)14(17)19-10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3
• InChIKey: BLQYEDXWEDWCNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl 2-methyl pyrrolidine-1,2-dicarboxylate
• IUPAC Traditional name: 1-benzyl 2-methyl pyrrolidine-1,2-dicarboxylate
• Synonyms: 1-BENZYL 2-METHYL PYRROLIDINE-1,2-DICARBOXYLATE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0024593
• LogD (pH = 7.4): 2.0024593
• Log P: 2.0024593
• Molar Refractivity: 68.6355 cm^3
• Polarizability: 27.023561 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%