2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide

• ChemBase ID: 252576
• Molecular Formular: C8H12N4O3
• Molecular Mass: 212.20588
• Monoisotopic Mass: 212.09094026
• SMILES: N1C(=O)NC2(C1=O)CCN(C(=O)N)CC2
• Canonical SMILES: O=C1NC(=O)C2(N1)CCN(CC2)C(=O)N
• InChI: InChI=1S/C8H12N4O3/c9-6(14)12-3-1-8(2-4-12)5(13)10-7(15)11-8/h1-4H2,(H2,9,14)(H2,10,11,13,15)
• InChIKey: YGWKMUJENCKUJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
• IUPAC Traditional name: 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
• Synonyms: 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide

Database IDs

• MDL Number: MFCD08444408
• PubChem SID: 164308486
• PubChem CID: 16227302

CALCULATED PROPERTIES

• Acid pKa: 10.172026
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.3019276
• LogD (pH = 7.4): -2.3026435
• Log P: -2.3019185
• Molar Refractivity: 49.4849 cm^3
• Polarizability: 18.97509 Å^3
• Polar Surface Area: 104.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -3.849

Product Information

• Purity: 95%