Trans-(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid

CAS No.：

Cat. No.: SC251305

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

Cat. No.: :SC251305

Purity / Specification :—

CAS No. :1212381-16-2

MDL No. :—

Molecular Formula :C₉H₁₅NO₄

LogP :1.20

Molecular Weight :201.22

TPSA :75.6

Category :API Intermediates

HSN Code :—

SMILES Code :CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)O

Melting Point :—

InChI Key : :NOZMNADEEKQWGO-PHDIDXHHSA-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✓ 201.2 Da

LogP ≤ 5✓ 1.20

HBD ≤ 5✓ 2

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

73/100

Good drug-like profile

Predicted LogP

1.20log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 75.6Å² · 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.