2-aminoadamantane-2-carboxylic acid
CAS No.：
Cat. No.: SC20083
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Product Name :2-aminoadamantane-2-carboxylic acid
Cat. No.: :SC20083
Purity / Specification :—
CAS No. :42381-05-5
MDL No. :—
Molecular Formula :C11H17NO2
LogP :-1.20
Molecular Weight :195.26
TPSA :63.3
Category :Building Blocks
HSN Code :—
SMILES Code :NC1(C(=O)O)C2CC3CC(C2)CC1C3
Melting Point :—
InChI Key : :WQMQRNCPZFUGID-UHFFFAOYSA-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✓ 195.3 Da
LogP ≤ 5✓ -1.20
HBD ≤ 5✓ 2
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i58/100
Moderate — typical building block
Predicted LogP
i-1.20log units
Hydrophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 63.3Ų · 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.