2,5-diethyl pyrrolidine-2,5-dicarboxylate

• ChemBase ID: 287819
• Molecular Formular: C10H17NO4
• Molecular Mass: 215.24628
• Monoisotopic Mass: 215.11575803
• SMILES: O=C(C1NC(C(=O)OCC)CC1)OCC
• Canonical SMILES: CCOC(=O)C1CCC(N1)C(=O)OCC
• InChI: InChI=1S/C10H17NO4/c1-3-14-9(12)7-5-6-8(11-7)10(13)15-4-2/h7-8,11H,3-6H2,1-2H3
• InChIKey: XDYNGPAGOCWBMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-diethyl pyrrolidine-2,5-dicarboxylate
• IUPAC Traditional name: 2,5-diethyl pyrrolidine-2,5-dicarboxylate
• Synonyms: Diethyl pyrrolidine-2,5-dicarboxylate

Database IDs

• CAS Number: 41994-50-7
• PubChem SID: 180673350
• PubChem CID: 13228037

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.591114
• LogD (pH = 7.4): 0.5981122
• Log P: 0.5982022
• Molar Refractivity: 52.9296 cm^3
• Polarizability: 21.539658 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%