(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CAS No.：
Cat. No.: SC23278
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Product Name :(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
Cat. No.: :SC23278
Purity / Specification :—
CAS No. :4350-09-8
MDL No. :MFCD00064341
Molecular Formula :C11H12N2O3
LogP :-1.20
Molecular Weight :220.23
TPSA :99.3
Category :Building Blocks
HSN Code :—
SMILES Code :N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O
Melting Point :518 °F (decomposes) (NTP, 1992)
InChI Key : :LDCYZAJDBXYCGN-VIFPVBQESA-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✓ 220.2 Da
LogP ≤ 5✓ -1.20
HBD ≤ 5✓ 4
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i51/100
Fragment / low drug-likeness
Predicted LogP
i-1.20log units
Hydrophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS− unlikely
TPSA 99.3Ų · 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.