2-amino-2-cyclobutylacetic acid hydrochloride

• ChemBase ID: 285470
• Molecular Formular: C6H12ClNO2
• Molecular Mass: 165.61798
• Monoisotopic Mass: 165.05565631
• SMILES: C(=O)(C(C1CCC1)N)O.Cl
• Canonical SMILES: NC(C(=O)O)C1CCC1.Cl
• InChI: InChI=1S/C6H11NO2.ClH/c7-5(6(8)9)4-2-1-3-4;/h4-5H,1-3,7H2,(H,8,9);1H
• InChIKey: SUOZIIJENXIMGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-cyclobutylacetic acid hydrochloride
• IUPAC Traditional name: amino(cyclobutyl)acetic acid hydrochloride
• Synonyms: 2-amino-2-cyclobutylacetic acid hydrochloride

Database IDs

• MDL Number: MFCD20731265
• PubChem SID: 180671001
• PubChem CID: 56828173

CALCULATED PROPERTIES

• Acid pKa: 2.5124881
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.9727435
• LogD (pH = 7.4): -1.9750303
• Log P: -1.9725633
• Molar Refractivity: 32.2917 cm^3
• Polarizability: 13.120767 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.211

Product Information

• Purity: 95%