ethyl 3-aminocyclopentane-1-carboxylate hydrochloride

• ChemBase ID: 239288
• Molecular Formular: C8H16ClNO2
• Molecular Mass: 193.67114
• Monoisotopic Mass: 193.08695644
• SMILES: C(=O)(C1CC(N)CC1)OCC.Cl
• Canonical SMILES: CCOC(=O)C1CCC(C1)N.Cl
• InChI: InChI=1S/C8H15NO2.ClH/c1-2-11-8(10)6-3-4-7(9)5-6;/h6-7H,2-5,9H2,1H3;1H
• InChIKey: BAEACPWZPZQUKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-aminocyclopentane-1-carboxylate hydrochloride
• IUPAC Traditional name: ethyl 3-aminocyclopentane-1-carboxylate hydrochloride
• Synonyms: ethyl 3-aminocyclopentane-1-carboxylate hydrochloride

Database IDs

• MDL Number: MFCD22378714
• PubChem SID: 164295198
• PubChem CID: 71756378

CALCULATED PROPERTIES

• Molar Refractivity: 42.0896 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.572962
• LogD (pH = 7.4): -2.276304
• Log P: 0.45468953

PROPERTIES

Physical Property

• Melting Point: 104 - 106°C
• Hydrophobicity(logP): 0.794

Product Information

• Purity: 95%