Methyl 1-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylate
CAS No.：
Cat. No.: SC25955
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Product Name :Methyl 1-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylate
Cat. No.: :SC25955
Purity / Specification :—
CAS No. :675834-17-0
MDL No. :MFCD30067146
Molecular Formula :C18H26N2O4
LogP :2.40
Molecular Weight :334.42
TPSA :67.9
Category :Building Blocks
HSN Code :—
SMILES Code :CC(C)(C)OC(=O)NC1(CCN(C1)CC2=CC=CC=C2)C(=O)OC
Melting Point :—
InChI Key : :FZSVWOFPFVPDFN-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 334.4 Da
LogP ≤ 5✓ 2.40
HBD ≤ 5✓ 1
HBA ≤ 10✓ 5
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i95/100
Excellent drug-like profile
Predicted LogP
i2.40log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 67.9Ų · 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.