3-{2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl}propanamide

• ChemBase ID: 274206
• Molecular Formular: C10H15N3O3
• Molecular Mass: 225.2444
• Monoisotopic Mass: 225.11134136
• SMILES: N1(C(=O)NC2(C1=O)CCCC2)CCC(=O)N
• Canonical SMILES: NC(=O)CCN1C(=O)NC2(C1=O)CCCC2
• InChI: InChI=1S/C10H15N3O3/c11-7(14)3-6-13-8(15)10(12-9(13)16)4-1-2-5-10/h1-6H2,(H2,11,14)(H,12,16)
• InChIKey: IRYGHOKZPQVHQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl}propanamide
• IUPAC Traditional name: 3-{2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl}propanamide
• Synonyms: 3-{2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl}propanamide

Database IDs

• MDL Number: MFCD11306430
• PubChem SID: 164330116
• PubChem CID: 46797284

CALCULATED PROPERTIES

• Acid pKa: 11.462881
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.73564243
• LogD (pH = 7.4): -0.7356791
• Log P: -0.73564196
• Molar Refractivity: 55.002 cm^3
• Polarizability: 21.437653 Å^3
• Polar Surface Area: 92.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150 - 152°C
• Hydrophobicity(logP): -0.429

Product Information

• Purity: 95%