methyl 2-ethylpyrrolidine-2-carboxylate

• ChemBase ID: 309742
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C(=O)(C1(NCCC1)CC)OC
• Canonical SMILES: COC(=O)C1(CC)CCCN1
• InChI: InChI=1S/C8H15NO2/c1-3-8(7(10)11-2)5-4-6-9-8/h9H,3-6H2,1-2H3
• InChIKey: KIGCOSULHHKUKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-ethylpyrrolidine-2-carboxylate
• IUPAC Traditional name: methyl 2-ethylpyrrolidine-2-carboxylate
• Synonyms: methyl 2-ethylprolinate

Database IDs

• CAS Number: 1065334-12-4
• MDL Number: MFCD19982740

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1739004
• LogD (pH = 7.4): 0.5185834
• Log P: 1.004041
• Molar Refractivity: 42.0707 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 38.33 Å^2