Tert-butyl 2-(2-azaspiro[3.3]heptan-6-yl)acetate

CAS No.：

Cat. No.: SC23343

Available on Request

Price on Request

Bulk Inquiry

Product Name :Tert-butyl 2-(2-azaspiro[3.3]heptan-6-yl)acetate

Cat. No.: :SC23343

Purity / Specification :—

CAS No. :2680715-98-2

MDL No. :—

Molecular Formula :C₁₂H₂₁NO₂

LogP :1.20

Molecular Weight :211.31

TPSA :38.3

Category :Building Blocks

HSN Code :—

SMILES Code :CC(C)(C)OC(=O)CC1CC2(CNC2)C1

Melting Point :—

InChI Key : :WUZWRTBGKQAPPD-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 211.3 Da

LogP ≤ 5✓ 1.20

HBD ≤ 5✓ 1

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

72/100

Good drug-like profile

Predicted LogP

1.20log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 38.3Å² · 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.