3',5'-Diiodo-L-tyrosine

C9H9I2NO3 — CID 9305

IUPAC(2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
SMILESC1=C(C=C(C(=C1I)O)I)C[C@@H](C(=O)O)N
InChIInChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
InChIKeyNYPYHUZRZVSYKL-ZETCQYMHSA-N
MW432.98 g/mol
LogP-0.50
Rot. Bonds3

About 3',5'-Diiodo-L-tyrosine

3',5'-Diiodo-L-tyrosine (PubChem CID 9305) has the molecular formula C9H9I2NO3 and a molecular weight of 432.98 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid.

Molecular Properties

Compound Name3',5'-Diiodo-L-tyrosine
PubChem CID9305
Molecular FormulaC9H9I2NO3
Molecular Weight432.98 g/mol
Exact Mass432.87
IUPAC Name(2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
SMILESC1=C(C=C(C(=C1I)O)I)C[C@@H](C(=O)O)N
InChIInChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
InChIKeyNYPYHUZRZVSYKL-ZETCQYMHSA-N
XLogP-0.50
TPSA83.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity227

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.98
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3',5'-Diiodo-L-tyrosine?
The IUPAC name of 3',5'-Diiodo-L-tyrosine (CID 9305) is (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid.
What is the SMILES notation for 3',5'-Diiodo-L-tyrosine?
The canonical SMILES for 3',5'-Diiodo-L-tyrosine is C1=C(C=C(C(=C1I)O)I)C[C@@H](C(=O)O)N.
What is the InChIKey of 3',5'-Diiodo-L-tyrosine?
The InChIKey is NYPYHUZRZVSYKL-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1.
What are the key properties of 3',5'-Diiodo-L-tyrosine?
3',5'-Diiodo-L-tyrosine has a molecular weight of 432.98 g/mol, XLogP of -0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3',5'-Diiodo-L-tyrosine is sourced from PubChem (CID 9305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).