(2S)-1-propan-2-ylpiperidine-2-carboxylic acid

CAS No.：

Cat. No.: SC25884

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Product Name :(2S)-1-propan-2-ylpiperidine-2-carboxylic acid

Cat. No.: :SC25884

Purity / Specification :—

CAS No. :1141826-51-8

MDL No. :MFCD11053660

Molecular Formula :C₉H₁₇NO₂

LogP :-0.70

Molecular Weight :171.24

TPSA :40.5

Category :Building Blocks

HSN Code :—

SMILES Code :CC(C)N1CCCC[C@H]1C(=O)O

Melting Point :—

InChI Key : :QFLCTAXQTJMMJD-QMMMGPOBSA-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✓ 171.2 Da

LogP ≤ 5✓ -0.70

HBD ≤ 5✓ 1

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

54/100

Fragment / low drug-likeness

Predicted LogP

-0.70log units

Hydrophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 40.5Å² · 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.