2-amino-N-methylcyclopentane-1-carboxamide

• ChemBase ID: 245251
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: C1(C(=O)NC)C(N)CCC1
• Canonical SMILES: CNC(=O)C1CCCC1N
• InChI: InChI=1S/C7H14N2O/c1-9-7(10)5-3-2-4-6(5)8/h5-6H,2-4,8H2,1H3,(H,9,10)
• InChIKey: BHBYDXTZQIAZJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-methylcyclopentane-1-carboxamide
• IUPAC Traditional name: 2-amino-N-methylcyclopentane-1-carboxamide
• Synonyms: 2-amino-N-methylcyclopentane-1-carboxamide

Database IDs

• MDL Number: MFCD20424880
• PubChem SID: 164301161
• PubChem CID: 14865629

CALCULATED PROPERTIES

• LogD (pH = 5.5): -3.4533725
• LogD (pH = 7.4): -2.4423988
• Log P: -0.47537157
• Molar Refractivity: 39.1368 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 16.26273
• H Acceptors: 2
• H Donor: 2

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.488

Product Information

• Purity: 95%