Tert-butyl 3-oxo-8-azaspiro[4.5]decane-8-carboxylate
CAS No.：
Cat. No.: SC24773
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Product Name :Tert-butyl 3-oxo-8-azaspiro[4.5]decane-8-carboxylate
Cat. No.: :SC24773
Purity / Specification :—
CAS No. :1250994-14-9
MDL No. :MFCD1879244
Molecular Formula :C14H23NO3
LogP :1.50
Molecular Weight :253.34
TPSA :46.6
Category :API Intermediates
HSN Code :—
SMILES Code :CC(C)(C)OC(=O)N1CCC2(CCC(=O)C2)CC1
Melting Point :—
InChI Key : :ZXXJXEXKMUZKPG-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 253.3 Da
LogP ≤ 5✓ 1.50
HBD ≤ 5✓ 0
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i86/100
Excellent drug-like profile
Predicted LogP
i1.50log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 46.6Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.