2-[[5-ethyl-6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[4.1.0]heptan-3-yl]methyl]-2-methylidene-bicyclo[3.1.0]hexane-2-carboxylic acid

CAS No.：

Cat. No.: SC261821

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Product Name :2-[[5-ethyl-6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[4.1.0]heptan-3-yl]methyl]-2-methylidene-bicyclo[3.1.0]hexane-2-carboxylic acid

Cat. No.: :SC261821

Purity / Specification :—

CAS No. :3104338-57-7

MDL No. :—

Molecular Formula :C₁₅H₂₃N₃O₄

LogP :2.36

Molecular Weight :309.37

TPSA :84.7

Category :Drug Discovery

HSN Code :—

SMILES Code :CCC1CN(C(=O)OC(C)(C)C)Cc2c(C(=O)O)nn(C)c21

Melting Point :—

InChI Key : :UAMFPIZGBGPXBP-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✓ 309.4 Da

LogP ≤ 5✓ 2.36

HBD ≤ 5✓ 1

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

96/100

Excellent drug-like profile

Predicted LogP

2.36log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 84.7Å² · 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.