ethyl 3-aminocyclobutane-1-carboxylate hydrochloride

• ChemBase ID: 235595
• Molecular Formular: C7H14ClNO2
• Molecular Mass: 179.64456
• Monoisotopic Mass: 179.07130637
• SMILES: Cl.CCOC(=O)C1CC(N)C1
• Canonical SMILES: CCOC(=O)C1CC(C1)N.Cl
• InChI: InChI=1S/C7H13NO2.ClH/c1-2-10-7(9)5-3-6(8)4-5;/h5-6H,2-4,8H2,1H3;1H
• InChIKey: JEJWYGQWKNHONY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12923216
• PubChem SID: 164291505
• PubChem CID: 53308469

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0137491
• LogD (pH = 7.4): -2.5905416
• Log P: 0.01012086
• Molar Refractivity: 37.4886 cm^3
• Polarizability: 15.197755 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.833

Product Information

• Purity: 95%