2-(2-bromopropan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CAS No.：
Cat. No.: SC25859
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Product Name :2-(2-bromopropan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Cat. No.: :SC25859
Purity / Specification :—
CAS No. :1977557-91-7
MDL No. :—
Molecular Formula :C16H22BrNO4
LogP :3.70
Molecular Weight :372.26
TPSA :75.6
Category :Building Blocks
HSN Code :—
SMILES Code :CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)c1cccc(Br)c1
Melting Point :—
InChI Key : :USJWQLAFBZNNMB-GFCCVEGCSA-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✓ 372.3 Da
LogP ≤ 5✓ 3.70
HBD ≤ 5✓ 2
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i84/100
Good drug-like profile
Predicted LogP
i3.70log units
Lipophilic
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.