Tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate;hydrochloride

CAS No.：

Cat. No.: SC251300

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Product Name :Tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate;hydrochloride

Cat. No.: :SC251300

Purity / Specification :—

CAS No. :445479-35-6

MDL No. :—

Molecular Formula :C₈H₁₇ClN₂O₂

LogP :1.03

Molecular Weight :208.69

TPSA :64.4

Category :CRO / Contract Research

HSN Code :—

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

Melting Point :—

InChI Key : :YSEZNMFHOVBUCK-IBTYICNHSA-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✓ 208.7 Da

LogP ≤ 5✓ 1.03

HBD ≤ 5✓ 3

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

72/100

Good drug-like profile

Predicted LogP

1.03log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 64.4Å² · 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.