2-amino-N-cyclopentyl-3-phenylpropanamide hydrochloride

• ChemBase ID: 49572
• Molecular Formular: C14H21ClN2O
• Molecular Mass: 268.78234
• Monoisotopic Mass: 268.13424098
• SMILES: C(=O)(NC1CCCC1)C(Cc1ccccc1)N.Cl
• Canonical SMILES: NC(C(=O)NC1CCCC1)Cc1ccccc1.Cl
• InChI: InChI=1S/C14H20N2O.ClH/c15-13(10-11-6-2-1-3-7-11)14(17)16-12-8-4-5-9-12;/h1-3,6-7,12-13H,4-5,8-10,15H2,(H,16,17);1H
• InChIKey: GNKGISJIQZOLFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562548
• PubChem SID: 162054335
• PubChem CID: 56832106

CALCULATED PROPERTIES

• Acid pKa: 15.739094
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.5477655
• LogD (pH = 7.4): 1.1460158
• Log P: 1.8490504
• Molar Refractivity: 68.2484 cm^3
• Polarizability: 27.074112 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false