Methyl (2R,4R)-4-aminooxolane-2-carboxylate

CAS No.：

Cat. No.: SC261671

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Product Name :Methyl (2R,4R)-4-aminooxolane-2-carboxylate

Cat. No.: :SC261671

Purity / Specification :—

CAS No. :1932180-86-3

MDL No. :—

Molecular Formula :C₆H₁₁NO₃

LogP :-0.70

Molecular Weight :145.16

TPSA :61.6

Category :Drug Discovery

HSN Code :—

SMILES Code :COC(=O)[C@H]1C[C@@H](N)CO1

Melting Point :—

InChI Key : :JDXTUDWONUFHFU-RFZPGFLSSA-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✓ 145.2 Da

LogP ≤ 5✓ -0.70

HBD ≤ 5✓ 1

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

55/100

Moderate — typical building block

Predicted LogP

-0.70log units

Hydrophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 61.6Å² · 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.