methyl 3-amino-2,2-dimethylcyclobutane-1-carboxylate hydrochloride

• ChemBase ID: 241917
• Molecular Formular: C8H16ClNO2
• Molecular Mass: 193.67114
• Monoisotopic Mass: 193.08695644
• SMILES: C1(C(C(C1)N)(C)C)C(=O)OC.Cl
• Canonical SMILES: COC(=O)C1CC(C1(C)C)N.Cl
• InChI: InChI=1S/C8H15NO2.ClH/c1-8(2)5(4-6(8)9)7(10)11-3;/h5-6H,4,9H2,1-3H3;1H
• InChIKey: YNGIJCQPNBJXTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-amino-2,2-dimethylcyclobutane-1-carboxylate hydrochloride
• IUPAC Traditional name: methyl 3-amino-2,2-dimethylcyclobutane-1-carboxylate hydrochloride
• Synonyms: methyl 3-amino-2,2-dimethylcyclobutane-1-carboxylate hydrochloride

Database IDs

• MDL Number: MFCD22565952
• PubChem SID: 164297827
• PubChem CID: 71756904

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6197135
• LogD (pH = 7.4): -2.0152457
• Log P: 0.39628658
• Molar Refractivity: 41.6097 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.342

Product Information

• Purity: 95%