Cas no 880271-29-4 (8-amino-2-Azaspiro[4.5]decan-3-one)

8-Amino-2-azaspiro[4.5]decan-3-one is a spirocyclic compound featuring a fused bicyclic structure with an amino group at the 8-position and a ketone at the 3-position. This scaffold is of interest in medicinal chemistry due to its rigid, three-dimensional framework, which can enhance binding selectivity and metabolic stability in drug design. The presence of both amino and carbonyl functionalities allows for versatile derivatization, making it a valuable intermediate for synthesizing bioactive molecules, particularly in CNS-targeted therapies. Its spirocyclic core contributes to improved solubility and reduced conformational flexibility, potentially optimizing pharmacokinetic properties. Suitable for research applications in lead optimization and fragment-based drug discovery.
8-amino-2-Azaspiro[4.5]decan-3-one structure
880271-29-4 structure
Product Name:8-amino-2-Azaspiro[4.5]decan-3-one
CAS No:880271-29-4
MF:C9H16N2O
MW:168.236142158508
MDL:MFCD20724270
CID:1120333
PubChem ID:58615081
Update Time:2025-10-30

8-amino-2-Azaspiro[4.5]decan-3-one Chemical and Physical Properties

Names and Identifiers

    • 8-amino-2-Azaspiro[4.5]decan-3-one
    • CS-0067224
    • 2-Azaspiro[4.5]decan-3-one, 8-amino-
    • EN300-331788
    • 880271-29-4
    • starbld0049725
    • 1932573-73-3
    • BVLKRYJHZIYNIK-UHFFFAOYSA-N
    • SCHEMBL5268031
    • AKOS022712021
    • D73375
    • F2147-2654
    • Rel-(5s,8s)-8-amino-2-azaspiro[4.5]decan-3-one
    • MDL: MFCD20724270
    • Inchi: 1S/C9H16N2O/c10-7-1-3-9(4-2-7)5-8(12)11-6-9/h7H,1-6,10H2,(H,11,12)
    • InChI Key: BVLKRYJHZIYNIK-UHFFFAOYSA-N
    • SMILES: O=C1CC2(CN1)CCC(CC2)N

Computed Properties

  • Exact Mass: 168.126263138g/mol
  • Monoisotopic Mass: 168.126263138g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 195
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.3
  • Topological Polar Surface Area: 55.1?2

8-amino-2-Azaspiro[4.5]decan-3-one Pricemore >>

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Additional information on 8-amino-2-Azaspiro[4.5]decan-3-one

Comprehensive Overview of 8-amino-2-Azaspiro[4.5]decan-3-one (CAS No. 880271-29-4): Properties, Applications, and Research Insights

8-amino-2-Azaspiro[4.5]decan-3-one (CAS No. 880271-29-4) is a structurally unique spirocyclic compound that has garnered significant attention in pharmaceutical and chemical research. Its aza-spiro core and functional amino group make it a versatile intermediate for drug discovery, particularly in the development of central nervous system (CNS) therapeutics and enzyme inhibitors. This article delves into its molecular characteristics, synthetic pathways, and emerging applications, while addressing trending topics like AI-driven drug design and sustainable chemistry.

The spirocyclic scaffold of 8-amino-2-Azaspiro[4.5]decan-3-one offers exceptional three-dimensional rigidity, a feature highly sought after in medicinal chemistry to enhance binding affinity and metabolic stability. Researchers frequently explore its potential in neurodegenerative disease targets, such as Parkinson's and Alzheimer's, where spirostructures are known to modulate dopamine receptors and amyloid-beta aggregation. Recent high-throughput screening studies highlight its role in optimizing kinase inhibitors, aligning with the growing demand for precision medicine solutions.

Synthetically, CAS No. 880271-29-4 is accessible via multicomponent reactions or ring-closing metathesis, with green chemistry adaptations gaining traction. Innovations like catalytic asymmetric synthesis and flow chemistry have improved yields and reduced waste, resonating with the industry's shift toward ESG compliance. Analytical techniques such as NMR spectroscopy and X-ray crystallography confirm its stereochemistry, a critical factor for chiral drug development.

Beyond pharmaceuticals, this compound intersects with agrochemical research, where its heterocyclic motifs contribute to novel pest control agents. Its low toxicity profile and biodegradability align with global trends favoring eco-friendly crop protection. Additionally, computational tools like molecular docking and QSAR modeling leverage its structure to predict bioactivity, a hot topic in AI-augmented drug discovery forums.

In summary, 8-amino-2-Azaspiro[4.5]decan-3-one exemplifies the convergence of structural innovation and multidisciplinary applications. Its relevance to CNS disorders, sustainable synthesis, and computational chemistry positions it as a pivotal subject for researchers navigating the future of bioactive small molecules.

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