2-amino-N-cyclopentyl-3-methylbutanamide

• ChemBase ID: 263625
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: C(=O)(NC1CCCC1)C(N)C(C)C
• Canonical SMILES: NC(C(=O)NC1CCCC1)C(C)C
• InChI: InChI=1S/C10H20N2O/c1-7(2)9(11)10(13)12-8-5-3-4-6-8/h7-9H,3-6,11H2,1-2H3,(H,12,13)
• InChIKey: GRJJRKRYXRWSAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09943996
• PubChem SID: 164319535
• PubChem CID: 24704668

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

Physical Property

• Hydrophobicity(logP): 1.104

Product Information

• Purity: 95%