4-amino-N-cyclopropylbutanamide

• ChemBase ID: 258175
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: C1(NC(=O)CCCN)CC1
• Canonical SMILES: NCCCC(=O)NC1CC1
• InChI: InChI=1S/C7H14N2O/c8-5-1-2-7(10)9-6-3-4-6/h6H,1-5,8H2,(H,9,10)
• InChIKey: FXFSJYAYBIVACJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-cyclopropylbutanamide
• IUPAC Traditional name: 4-amino-N-cyclopropylbutanamide
• Synonyms: 4-amino-N-cyclopropylbutanamide

Database IDs

• MDL Number: MFCD09726312
• PubChem SID: 164314085
• PubChem CID: 22692124

CALCULATED PROPERTIES

• Acid pKa: 16.099142
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.7577603
• LogD (pH = 7.4): -3.1976497
• Log P: -0.7395036
• Molar Refractivity: 39.3879 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.703

Product Information

• Purity: 95%