2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

CAS No.：

Cat. No.: SC23246

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Product Name :2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

Cat. No.: :SC23246

Purity / Specification :—

CAS No. :54256-41-6

MDL No. :MFCD06659132

Molecular Formula :C₁₀H₁₇NO₄

LogP :1.30

Molecular Weight :215.25

TPSA :75.6

Category :API Intermediates

HSN Code :—

SMILES Code :CC(C)(C)OC(=O)N(CC(=O)O)C1CC1

Melting Point :—

InChI Key : :VPTQREPNFSXDEM-UHFFFAOYSA-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✓ 215.2 Da

LogP ≤ 5✓ 1.30

HBD ≤ 5✓ 2

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

76/100

Good drug-like profile

Predicted LogP

1.30log 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.