tert-butyl N-(2-aminocyclobutyl)carbamate

• ChemBase ID: 243186
• Molecular Formular: C9H18N2O2
• Molecular Mass: 186.25142
• Monoisotopic Mass: 186.13682783
• SMILES: C(=O)(NC1C(CC1)N)OC(C)(C)C
• Canonical SMILES: NC1CCC1NC(=O)OC(C)(C)C
• InChI: InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-5-4-6(7)10/h6-7H,4-5,10H2,1-3H3,(H,11,12)
• InChIKey: QEVWCEYVNCWPKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(2-aminocyclobutyl)carbamate
• IUPAC Traditional name: tert-butyl N-(2-aminocyclobutyl)carbamate
• Synonyms: tert-butyl N-(2-aminocyclobutyl)carbamate

Database IDs

• MDL Number: MFCD20723359
• PubChem SID: 164299096
• PubChem CID: 66724375

CALCULATED PROPERTIES

• Acid pKa: 14.833778
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.3596394
• LogD (pH = 7.4): -1.2203377
• Log P: 0.5949863
• Molar Refractivity: 49.623 cm^3
• Polarizability: 20.017399 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.871

Product Information

• Purity: 95%