3-chloro-N-{2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}propanamide

• ChemBase ID: 252708
• Molecular Formular: C11H16ClN3O3
• Molecular Mass: 273.71604
• Monoisotopic Mass: 273.08801907
• SMILES: N1(C(=O)NC2(C1=O)CCCCC2)NC(=O)CCCl
• Canonical SMILES: ClCCC(=O)NN1C(=O)NC2(C1=O)CCCCC2
• InChI: InChI=1S/C11H16ClN3O3/c12-7-4-8(16)14-15-9(17)11(13-10(15)18)5-2-1-3-6-11/h1-7H2,(H,13,18)(H,14,16)
• InChIKey: SOXPZRLWSZGMDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N-{2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}propanamide
• IUPAC Traditional name: 3-chloro-N-{2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}propanamide
• Synonyms: 3-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)propanamide

Database IDs

• MDL Number: MFCD09802030
• PubChem SID: 164308618
• PubChem CID: 25323408

CALCULATED PROPERTIES

• Acid pKa: 8.097954
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7611342
• LogD (pH = 7.4): 0.6925303
• Log P: 0.7621044
• Molar Refractivity: 64.4186 cm^3
• Polarizability: 25.164713 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.405

Product Information

• Purity: 95%