3-amino-3-cyclopentylpropanoic acid

• ChemBase ID: 813236
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C(=O)(CC(C1CCCC1)N)O
• Canonical SMILES: NC(C1CCCC1)CC(=O)O
• InChI: InChI=1S/C8H15NO2/c9-7(5-8(10)11)6-3-1-2-4-6/h6-7H,1-5,9H2,(H,10,11)
• InChIKey: SPOIBOUMGDWHCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-3-cyclopentylpropanoic acid
• IUPAC Traditional name: 3-amino-3-cyclopentylpropanoic acid
• Synonyms: 3-AMINO-3-CYCLOPENTYLPROPANOIC ACID

Database IDs

• CAS Number: 682804-23-5

CALCULATED PROPERTIES

• Acid pKa: 4.2702184
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.464033
• LogD (pH = 7.4): -1.4440228
• Log P: -1.4442647
• Molar Refractivity: 41.517 cm^3
• Polarizability: 16.785397 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%