(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-2-ylacetic acid

CAS No.：

Cat. No.: SC24728

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Product Name :(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-2-ylacetic acid

Cat. No.: :SC24728

Purity / Specification :—

CAS No. :40512-56-9

MDL No. :—

Molecular Formula :C₁₁H₁₅NO₄S

LogP :1.90

Molecular Weight :257.30

TPSA :104.0

Category :API Intermediates

HSN Code :—

SMILES Code :CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1cccs1

Melting Point :—

InChI Key : :CFAJOXPICRIMCA-MRVPVSSYSA-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✓ 257.3 Da

LogP ≤ 5✓ 1.90

HBD ≤ 5✓ 2

HBA ≤ 10✓ 5

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

79/100

Good drug-like profile

Predicted LogP

1.90log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS− unlikely

TPSA 104.0Å² · 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.