Methyl L-tyrosinate hydrochloride

C10H14ClNO3CAS 3417-91-2231.68 g/mol

Open in Covalent MOL file
OOH2NOHHCl
EsterPhenolPrimary amine

Properties

Molecular formula
C10H14ClNO3
Molar mass
231.68 g/mol
Exact mass
231.0662 Da
Melting point
190 °C
logP
0.86Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 83 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
3417-91-2
SMILES
COC(=O)[C@@H](N)Cc1ccc(O)cc1.Cl
InChIKey
VXYFARNRGZWHTJ-FVGYRXGTSA-N
InChI
InChI=1S/C10H13NO3.ClH/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7;/h2-5,9,12H,6,11H2,1H3;1H/t9-;/m0./s1

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Names and synonyms

9 names
  • L-Tyrosine, methyl ester, hydrochloride
  • L-Tyrosine, methyl ester, hydrochloride (1:1)
  • Tyrosine, methyl ester, hydrochloride, L-
  • Tyrosine methyl ester hydrochloride
  • Methyl tyrosinate hydrochloride
  • (S)-Tyrosine methyl ester hydrochloride
  • NSC 65609
  • (2S)-Methyl 2-ammonio-3-(4-hydroxyphenyl)propionate chloride
  • H-L-Tyr-OMe hydrochloride

Work with Methyl 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.

Methyl L-tyrosinate1080-06-4Free base Methyl D-tyrosinate hydrochloride3728-20-9Enantiomer

Similar compounds

Methyl 4-bromo-L-phenylalaninate hydrochloride99359-32-776 % similar Methyl (R)-phenylalaninate hydrochloride13033-84-673 % similar Methyl 3-phenyl-DL-alaninate hydrochloride5619-07-873 % similar Methyl L-phenylalaninate hydrochloride7524-50-773 % similar D-Tyrosine ethyl ester hydrochloride23234-43-772 % similar Ethyl L-tyrosinate hydrochloride4089-07-072 % similar DL-(p-Chlorophenyl)alanine methyl ester hydrochloride14173-40-171 % similar 4-Chloro-D-phenylalanine methyl ester hydrochloride33965-47-871 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

D-Serine benzyl ester hydrochloride151651-44-4 L-Serine benzyl ester hydrochloride60022-62-0

Elsewhere

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