3-iodotyrosine   Click here for help

GtoPdb Ligand ID: 5117

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 83.55
Molecular weight 306.97
XLogP -0.72
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C(Cc1ccc(c(c1)I)O)N
Isomeric SMILES OC(=O)C(Cc1ccc(c(c1)I)O)N
InChI InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)
InChI Key UQTZMGFTRHFAAM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid
Database Links Click here for help
CAS Registry No. 3078-39-5
ChEBI CHEBI:27847
GtoPdb PubChem SID 178101810
PubChem CID 6272
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Wikipedia 3-Iodotyrosine