(3aR,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxylic acid

CAS No.：

Cat. No.: SC251312

Available on Request

Price on Request

Bulk Inquiry

Product Name :(3aR,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxylic acid

Cat. No.: :SC251312

Purity / Specification :—

CAS No. :1443148-29-5

MDL No. :—

Molecular Formula :C₈H₁₃NO₂

LogP :-2.10

Molecular Weight :155.20

TPSA :49.3

Category :CRO / Contract Research

HSN Code :—

SMILES Code :C1C[C@H]2CNC[C@]2(C1)C(=O)O

Melting Point :—

InChI Key : :JTTVKCQDFDFKRG-XPUUQOCRSA-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✓ 155.2 Da

LogP ≤ 5✓ -2.10

HBD ≤ 5✓ 2

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

47/100

Fragment / low drug-likeness

Predicted LogP

-2.10log 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.