Methyl 2-(6-oxa-2-azaspiro[3.5]nonan-7-yl)acetate
CAS No.：
Cat. No.: SC23338
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Product Name :Methyl 2-(6-oxa-2-azaspiro[3.5]nonan-7-yl)acetate
Cat. No.: :SC23338
Purity / Specification :—
CAS No. :2445790-87-2
MDL No. :—
Molecular Formula :C10H17NO3
LogP :-0.10
Molecular Weight :199.25
TPSA :47.6
Category :Building Blocks
HSN Code :—
SMILES Code :COC(=O)CC1CCC2(CNC2)CO1
Melting Point :—
InChI Key : :YDCFOQQSUWCNQB-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✓ 199.3 Da
LogP ≤ 5✓ -0.10
HBD ≤ 5✓ 1
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i63/100
Moderate — typical building block
Predicted LogP
i-0.10log units
Hydrophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 47.6Ų · 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.