1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CAS No.：
Cat. No.: SC24584
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
Cat. No.: :SC24584
Purity / Specification :—
CAS No. :133747-57-6
MDL No. :MFCD00716971
Molecular Formula :C12H13NO3
LogP :0.90
Molecular Weight :219.24
TPSA :57.6
Category :Building Blocks
HSN Code :—
SMILES Code :Cc1ccc(N2CC(C(=O)O)CC2=O)cc1
Melting Point :—
InChI Key : :LWBXWUBOAVLXAX-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✓ 219.2 Da
LogP ≤ 5✓ 0.90
HBD ≤ 5✓ 1
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i77/100
Good drug-like profile
Predicted LogP
i0.90log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 57.6Ų · 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.