chempirical

3-Chloro-L-tyrosine

C9H10ClNO3CAS 7423-93-0215.63 g/mol

Open in Covalent MOL file
H2NOHClOHO
Aryl halideCarboxylic acidPhenolPrimary amine

Properties

Molecular formula
C9H10ClNO3
Molar mass
215.63 g/mol
Exact mass
215.0349 Da
logP
1.00Crippen estimate
Polar surface area
83.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
7423-93-0
SMILES
N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O
InChIKey
ACWBBAGYTKWBCD-ZETCQYMHSA-N
InChI
InChI=1S/C9H10ClNO3/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

5 names
  • L-Tyrosine, 3-chloro-
  • Tyrosine, 3-chloro-, L-
  • Monochlorotyrosine
  • 2: PN: WO2005055810 PAGE: 59 claimed protein
  • (2S)-2-Amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid

Work with 3-Chloro-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

3,4-Dichloro-D-phenylalanine52794-98-677 % similar 3,4-Dichloro-L-phenylalanine52794-99-777 % similar D-Dopa5796-17-874 % similar Dopa59-92-774 % similar Dl-dopa63-84-374 % similar 3-Fluoro-dl-tyrosine403-90-767 % similar 3-Iodo-L-tyrosine70-78-067 % similar 3-Fluoro-L-tyrosine7423-96-367 % similar

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

Same formula

4-Amino-5-chloro-2-ethoxybenzoic acid108282-38-8 2′-Amino-4′,5′-methylenedioxyacetophenone hydrochloride93983-01-8

Elsewhere

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