Trans-ethyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate

CAS No.：

Cat. No.: SC251304

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Product Name :Trans-ethyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate

Cat. No.: :SC251304

Purity / Specification :—

CAS No. :162129-60-4

MDL No. :—

Molecular Formula :C₁₁H₁₉NO₄

LogP :1.90

Molecular Weight :229.28

TPSA :64.6

Category :CRO / Contract Research

HSN Code :—

SMILES Code :CCOC(=O)[C@@H]1C[C@H]1NC(=O)OC(C)(C)C

Melting Point :—

InChI Key : :WQCFOWMOJLYSPS-HTQZYQBOSA-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✓ 229.3 Da

LogP ≤ 5✓ 1.90

HBD ≤ 5✓ 1

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

83/100

Good drug-like profile

Predicted LogP

1.90log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 64.6Å² · 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.