2-amino-N-cyclopentyl-3-methylbutanamide hydrochloride

• ChemBase ID: 49570
• Molecular Formular: C10H21ClN2O
• Molecular Mass: 220.73954
• Monoisotopic Mass: 220.13424098
• SMILES: C(=O)(NC1CCCC1)C(N)C(C)C.Cl
• Canonical SMILES: NC(C(=O)NC1CCCC1)C(C)C.Cl
• InChI: InChI=1S/C10H20N2O.ClH/c1-7(2)9(11)10(13)12-8-5-3-4-6-8;/h7-9H,3-6,11H2,1-2H3,(H,12,13);1H
• InChIKey: HPJVTRJIEXLFJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cyclopentyl-3-methylbutanamide hydrochloride
• IUPAC Traditional name: 2-amino-N-cyclopentyl-3-methylbutanamide hydrochloride
• Synonyms: 2-Amino-N-cyclopentyl-3-methylbutanamide hydrochloride

Database IDs

• MDL Number: MFCD13562546
• PubChem SID: 162054333
• PubChem CID: 56832104

CALCULATED PROPERTIES

• Acid pKa: 15.940649
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.6426188
• LogD (pH = 7.4): -0.060750455
• Log P: 1.0802193
• Molar Refractivity: 52.625 cm^3
• Polarizability: 21.152966 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false