Tert-butyl 3-oxo-6-azabicyclo[3.1.1]heptane-6-carboxylate

CAS No.：

Cat. No.: SC251025

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Product Name :Tert-butyl 3-oxo-6-azabicyclo[3.1.1]heptane-6-carboxylate

Cat. No.: :SC251025

Purity / Specification :—

CAS No. :246281-86-6

MDL No. :MFCD22571628

Molecular Formula :C₉H₇N₃O₃

LogP :—

Molecular Weight :205.17

TPSA :—

Category :Building Blocks

HSN Code :—

SMILES Code :O=C1CC2N(C(C1)C2)C(=O)OC(C)(C)C

Melting Point :—

InChI Key : :—

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

✗ FAIL

MW ≤ 500 Da✓ 205.2 Da

LogP ≤ 5— N/A

HBD ≤ 5— N/A

HBA ≤ 10— N/A

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

46/100

Fragment / low drug-likeness

Predicted LogP

N/A

CNS Permeability

Clark model · J Pharm Sci, 1999

TPSA data required

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.