tert-butyl N-({2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl}methyl)carbamate

• ChemBase ID: 279333
• Molecular Formular: C14H23N3O4
• Molecular Mass: 297.35012
• Monoisotopic Mass: 297.16885623
• SMILES: N1C(=O)C2(NC1=O)C(CNC(=O)OC(C)(C)C)CCCC2
• Canonical SMILES: O=C1NC(=O)C2(N1)CCCCC2CNC(=O)OC(C)(C)C
• InChI: InChI=1S/C14H23N3O4/c1-13(2,3)21-12(20)15-8-9-6-4-5-7-14(9)10(18)16-11(19)17-14/h9H,4-8H2,1-3H3,(H,15,20)(H2,16,17,18,19)
• InChIKey: NOZDQWCXDKOKPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-({2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl}methyl)carbamate
• IUPAC Traditional name: tert-butyl N-({2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl}methyl)carbamate
• Synonyms: tert-butyl N-({2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl}methyl)carbamate

Database IDs

• MDL Number: MFCD20501919
• PubChem SID: 164335243
• PubChem CID: 54595245

CALCULATED PROPERTIES

• Acid pKa: 10.181543
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.9322548
• LogD (pH = 7.4): 0.9315543
• Log P: 0.93226373
• Molar Refractivity: 74.9321 cm^3
• Polarizability: 29.477457 Å^3
• Polar Surface Area: 96.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 229 - 231°C
• Hydrophobicity(logP): 0.675

Product Information

• Purity: 95%