chempirical

D-Tyrosine ethyl ester hydrochloride

C11H16ClNO3CAS 23234-43-7245.70 g/mol

Open in Covalent MOL file
OOH2NOHHCl
EsterPhenolPrimary amine

Properties

Molecular formula
C11H16ClNO3
Molar mass
245.70 g/mol
Exact mass
245.0819 Da
logP
1.25Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
23234-43-7
SMILES
CCOC(=O)[C@H](N)Cc1ccc(O)cc1.Cl
InChIKey
BQULAXAVRFIAHN-HNCPQSOCSA-N
InChI
InChI=1S/C11H15NO3.ClH/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8;/h3-6,10,13H,2,7,12H2,1H3;1H/t10-;/m1./s1

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Names and synonyms

3 names
  • D-Tyrosine, ethyl ester, hydrochloride (1:1)
  • Tyrosine, ethyl ester, hydrochloride, D-
  • D-Tyrosine, ethyl ester, hydrochloride

Work with D-Tyrosine ethyl ester hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

L-Tyrosine ethyl ester949-67-7Free base, enantiomer Ethyl L-tyrosinate hydrochloride4089-07-0Enantiomer

Similar compounds

Phenylalanine ethyl ester hydrochloride3182-93-274 % similar H-D-Phe-oet hcl63060-94-674 % similar DL-p-Chlorophenylalanine ethyl ester hydrochloride52031-05-773 % similar Methyl L-tyrosinate hydrochloride3417-91-272 % similar Methyl D-tyrosinate hydrochloride3728-20-972 % similar 4-Nitro-L-phenylalanine ethyl ester hydrochloride58816-66-365 % similar Methyl L-tyrosinate1080-06-465 % similar L-Tyrosine 1,1-dimethylethyl ester16874-12-761 % similar

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

Same formula

O-Benzyl-L-serine methyl ester hydrochloride19525-87-2 L-Threonine benzyl ester hydrochloride33645-24-8 α-Methyltyrosine methyl ester hydrochloride7361-31-1 D-Threonine benzyl ester hydrochloride75748-36-6

Elsewhere

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