(4R)-2-oxo-1,3-oxazolidine-4-carboxylic acid
CAS No.：
Cat. No.: SC4798
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Product Name :(4R)-2-oxo-1,3-oxazolidine-4-carboxylic acid
Cat. No.: :SC4798
Purity / Specification :—
CAS No. :83841-00-3
MDL No. :—
Molecular Formula :C4H5NO4
LogP :-0.70
Molecular Weight :131.09
TPSA :75.6
Category :Building Blocks
HSN Code :—
SMILES Code :O=C1N[C@@H](C(=O)O)CO1
Melting Point :—
InChI Key : :XMFFFMBLTDERID-UWTATZPHSA-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✓ 131.1 Da
LogP ≤ 5✓ -0.70
HBD ≤ 5✓ 2
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i52/100
Fragment / low drug-likeness
Predicted LogP
i-0.70log units
Hydrophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 75.6Ų · 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.