Ethyl L-tyrosinate hydrochloride

C11H16ClNO3CAS 4089-07-0245.70 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
Melting point
167–170 °C
logP
1.25Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4089-07-0
SMILES
CCOC(=O)[C@@H](N)Cc1ccc(O)cc1.Cl
InChIKey
BQULAXAVRFIAHN-PPHPATTJSA-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-;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • L-Tyrosine, ethyl ester, hydrochloride (1:1)
  • Tyrosine, ethyl ester, hydrochloride, L-
  • L-Tyrosine, ethyl ester, hydrochloride
  • (S)-Tyrosine ethyl ester hydrochloride
  • NSC 17141
  • (2S)-1-Ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-aminium chloride
  • Tyrosine ethyl ester hydrochloride

Work with Ethyl L-tyrosinate 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 D-Tyrosine ethyl ester hydrochloride23234-43-7Enantiomer

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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