1-amino-N-methylcyclopentane-1-carboxamide hydrochloride

• ChemBase ID: 267724
• Molecular Formular: C7H15ClN2O
• Molecular Mass: 178.6598
• Monoisotopic Mass: 178.08729079
• SMILES: C(=O)(C1(N)CCCC1)NC.Cl
• Canonical SMILES: CNC(=O)C1(N)CCCC1.Cl
• InChI: InChI=1S/C7H14N2O.ClH/c1-9-6(10)7(8)4-2-3-5-7;/h2-5,8H2,1H3,(H,9,10);1H
• InChIKey: GWEACORCOKUAGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16547629
• PubChem SID: 164323634
• PubChem CID: 47003096

CALCULATED PROPERTIES

• Acid pKa: 15.982941
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.975863
• LogD (pH = 7.4): -1.5094408
• Log P: -0.14789309
• Molar Refractivity: 39.1753 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 214 - 216°C
• Hydrophobicity(logP): -0.233

Product Information

• Purity: 95%