tert-butyl N-(3-amino-2,2,4,4-tetramethylcyclobutyl)carbamate

• ChemBase ID: 235242
• Molecular Formular: C13H26N2O2
• Molecular Mass: 242.35774
• Monoisotopic Mass: 242.19942808
• SMILES: CC(C)(C)OC(=O)NC1C(C)(C)C(N)C1(C)C
• Canonical SMILES: NC1C(C)(C)C(C1(C)C)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C13H26N2O2/c1-11(2,3)17-10(16)15-9-12(4,5)8(14)13(9,6)7/h8-9H,14H2,1-7H3,(H,15,16)
• InChIKey: JVWUWZXDMXHJTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(3-amino-2,2,4,4-tetramethylcyclobutyl)carbamate
• IUPAC Traditional name: tert-butyl N-(3-amino-2,2,4,4-tetramethylcyclobutyl)carbamate
• Synonyms: tert-butyl 3-amino-2,2,4,4-tetramethylcyclobutylcarbamate

Database IDs

• MDL Number: MFCD22056385
• PubChem SID: 164291152
• PubChem CID: 71755462

CALCULATED PROPERTIES

• Acid pKa: 15.073907
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.8763368
• LogD (pH = 7.4): 0.25057656
• Log P: 2.0809336
• Molar Refractivity: 67.3624 cm^3
• Polarizability: 27.371313 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.413

Product Information

• Purity: 95%