2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid

• ChemBase ID: 237687
• Molecular Formular: C15H24N2O4
• Molecular Mass: 296.36206
• Monoisotopic Mass: 296.17360726
• SMILES: N1(C(=O)NC2(C1=O)CCC(C(CC)(C)C)CC2)CC(=O)O
• Canonical SMILES: CCC(C1CCC2(CC1)NC(=O)N(C2=O)CC(=O)O)(C)C
• InChI: InChI=1S/C15H24N2O4/c1-4-14(2,3)10-5-7-15(8-6-10)12(20)17(9-11(18)19)13(21)16-15/h10H,4-9H2,1-3H3,(H,16,21)(H,18,19)
• InChIKey: IIQNJDSMFUHQBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
• IUPAC Traditional name: [8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
• Synonyms: [8-(1,1-dimethylpropyl)-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl]acetic acid

Database IDs

• MDL Number: MFCD06655092
• PubChem SID: 164293597
• PubChem CID: 3521777

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• Acid pKa: 3.5176442
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.0673738
• LogD (pH = 7.4): -1.3279808
• Log P: 2.0420792
• Molar Refractivity: 75.8557 cm^3
• Polarizability: 29.904785 Å^3
• Polar Surface Area: 86.71 Å^2
• Rotatable Bonds: 4

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.884

Product Information

• Purity: 95%