methyl 1-(methylamino)cyclopentane-1-carboxylate

• ChemBase ID: 240895
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C(=O)(C1(NC)CCCC1)OC
• Canonical SMILES: COC(=O)C1(NC)CCCC1
• InChI: InChI=1S/C8H15NO2/c1-9-8(7(10)11-2)5-3-4-6-8/h9H,3-6H2,1-2H3
• InChIKey: CLLBVZMAXCBAFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-(methylamino)cyclopentane-1-carboxylate
• IUPAC Traditional name: methyl 1-(methylamino)cyclopentane-1-carboxylate
• Synonyms: methyl 1-(methylamino)cyclopentane-1-carboxylate

Database IDs

• MDL Number: MFCD12150921
• PubChem SID: 164296805
• PubChem CID: 58765287

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.3553641
• LogD (pH = 7.4): 0.9047363
• Log P: 1.013848
• Molar Refractivity: 42.0001 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): 0.965

Product Information

• Purity: 95%