1-amino-2-methylcyclopentane-1-carboxamide

• ChemBase ID: 248649
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: C1(C(=O)N)(C(CCC1)C)N
• Canonical SMILES: CC1CCCC1(N)C(=O)N
• InChI: InChI=1S/C7H14N2O/c1-5-3-2-4-7(5,9)6(8)10/h5H,2-4,9H2,1H3,(H2,8,10)
• InChIKey: WEZBVNVIXKNKOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21123831
• PubChem SID: 164304559
• PubChem CID: 65045173

CALCULATED PROPERTIES

• Acid pKa: 16.424555
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.8617733
• LogD (pH = 7.4): -1.4398776
• Log P: -0.0065963287
• Molar Refractivity: 38.7502 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64 - 66°C
• Hydrophobicity(logP): 0.02

Product Information

• Purity: 95%