Tert-butyl 6-oxo-2-azaspiro[3.4]octane-2-carboxylate
CAS No.：
Cat. No.: SC261795
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Product Name :Tert-butyl 6-oxo-2-azaspiro[3.4]octane-2-carboxylate
Cat. No.: :SC261795
Purity / Specification :—
CAS No. :1363382-39-1
MDL No. :MFCD22421762
Molecular Formula :C12H19NO3
LogP :0.80
Molecular Weight :225.29
TPSA :46.6
Category :CDMO
HSN Code :—
SMILES Code :CC(C)(C)OC(=O)N1CC2(CCC(=O)C2)C1
Melting Point :—
InChI Key : :NTVVXWBUFPOSBS-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✓ 225.3 Da
LogP ≤ 5✓ 0.80
HBD ≤ 5✓ 0
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i76/100
Good drug-like profile
Predicted LogP
i0.80log 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.