(4R)-4-(hydroxymethyl)pyrrolidin-2-one

CAS No.：

Cat. No.: SC24760

Available on Request

Price on Request

Bulk Inquiry

Product Name :(4R)-4-(hydroxymethyl)pyrrolidin-2-one

Cat. No.: :SC24760

Purity / Specification :—

CAS No. :1165450-70-3

MDL No. :MFCD1922746

Molecular Formula :C₅H₉NO₂

LogP :-1.20

Molecular Weight :115.13

TPSA :49.3

Category :Building Blocks

HSN Code :—

SMILES Code :O=C1C[C@@H](CO)CN1

Melting Point :—

InChI Key : :KTOFYLXSANIPND-SCSAIBSYSA-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✓ 115.1 Da

LogP ≤ 5✓ -1.20

HBD ≤ 5✓ 2

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

45/100

Fragment / low drug-likeness

Predicted LogP

-1.20log units

Hydrophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 49.3Å² · 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.