3-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CAS No.：
Cat. No.: SC25886
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Product Name :3-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
Cat. No.: :SC25886
Purity / Specification :—
CAS No. :1011479-76-7
MDL No. :MFCD1837499
Molecular Formula :C12H19NO6
LogP :0.70
Molecular Weight :273.29
TPSA :93.1
Category :Building Blocks
HSN Code :—
SMILES Code :CCOC(=O)C1(C(=O)O)CN(C(=O)OC(C)(C)C)C1
Melting Point :—
InChI Key : :RCWFRIPIIZSBEJ-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✓ 273.3 Da
LogP ≤ 5✓ 0.70
HBD ≤ 5✓ 1
HBA ≤ 10✓ 6
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i78/100
Good drug-like profile
Predicted LogP
i0.70log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS− unlikely
TPSA 93.1Ų · 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.