Methyl D-tyrosinate hydrochloride

C10H14ClNO3CAS 3728-20-9231.68 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
177–179 °C
logP
0.86Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Hazards

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

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Identifiers

CAS number
3728-20-9
SMILES
COC(=O)[C@H](N)Cc1ccc(O)cc1.Cl
InChIKey
VXYFARNRGZWHTJ-SBSPUUFOSA-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-;/m1./s1

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Names and synonyms

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

Work with Methyl D-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, enantiomer Methyl L-tyrosinate hydrochloride3417-91-2Enantiomer

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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