ethyl 2-methylpyrrolidine-2-carboxylate

• ChemBase ID: 240782
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C(=O)(C1(NCCC1)C)OCC
• Canonical SMILES: CCOC(=O)C1(C)CCCN1
• InChI: InChI=1S/C8H15NO2/c1-3-11-7(10)8(2)5-4-6-9-8/h9H,3-6H2,1-2H3
• InChIKey: GFZALZKFOASWKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-methylpyrrolidine-2-carboxylate
• IUPAC Traditional name: ethyl 2-methylpyrrolidine-2-carboxylate
• Synonyms: ethyl 2-methylpyrrolidine-2-carboxylate

Database IDs

• MDL Number: MFCD20305101
• PubChem SID: 164296692
• PubChem CID: 20255364

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1996639
• LogD (pH = 7.4): 0.44913104
• Log P: 0.8383265
• Molar Refractivity: 42.2953 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.313

Product Information

• Purity: 95%