2-amino-N-cyclopentyl-2-methylpropanamide hydrochloride

• ChemBase ID: 49571
• Molecular Formular: C9H19ClN2O
• Molecular Mass: 206.71296
• Monoisotopic Mass: 206.11859092
• SMILES: C(=O)(NC1CCCC1)C(N)(C)C.Cl
• Canonical SMILES: O=C(C(N)(C)C)NC1CCCC1.Cl
• InChI: InChI=1S/C9H18N2O.ClH/c1-9(2,10)8(12)11-7-5-3-4-6-7;/h7H,3-6,10H2,1-2H3,(H,11,12);1H
• InChIKey: VKYXQUUARFDTDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cyclopentyl-2-methylpropanamide hydrochloride
• IUPAC Traditional name: 2-amino-N-cyclopentyl-2-methylpropanamide hydrochloride
• Synonyms: 2-Amino-N-cyclopentyl-2-methylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD13562547
• PubChem SID: 162054334
• PubChem CID: 56832105

CALCULATED PROPERTIES

• Acid pKa: 15.856804
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1580672
• LogD (pH = 7.4): -0.633984
• Log P: 0.6254899
• Molar Refractivity: 48.3427 cm^3
• Polarizability: 19.311396 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false