3-Iodo-L-tyrosine

C₉H₁₀INO₃CAS 70-78-0307.09 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Phenol Primary amine

Properties

Molecular formula: C₉H₁₀INO₃
Molar mass: 307.09 g/mol
Exact mass: 306.9705 Da
Melting point: 205 °C (decomposes)
logP: 0.95Crippen estimate
Polar surface area: 83.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

70-78-0

SMILES

N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O

InChIKey

UQTZMGFTRHFAAM-ZETCQYMHSA-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)/t7-/m0/s1

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Names and synonyms

9 names

L-Tyrosine, 3-iodo-
Tyrosine, 3-iodo-, L-
MIT
3-Iodotyrosine
3-Iodo-4-hydroxyphenylalanine
MIT (amino acid)
4-Hydroxy-3-iodophenylalanine
NSC 210787
(2S)-2-Amino-3-(4-hydroxy-3-iodophenyl)propanoic acid

Work with 3-Iodo-L-tyrosine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,3′-Diiodo-L-thyronine4604-41-577 % similar D-Dopa5796-17-874 % similar Dopa59-92-774 % similar Dl-dopa63-84-374 % similar Triiodothyronine6893-02-372 % similar 3′,5′-Diiodo-L-tyrosine300-39-068 % similar 3-Fluoro-dl-tyrosine403-90-767 % similar 3-Chloro-L-tyrosine7423-93-067 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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