Methyl D-tyrosinate hydrochloride

C₁₀H₁₄ClNO₃CAS 3728-20-9231.68 g/mol

Open in Covalent MOL file

Ester Phenol Primary 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 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

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

Weigh it out

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

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

Similar compounds

Methyl L-tyrosinate1080-06-492 % similar Methyl (R)-phenylalaninate hydrochloride13033-84-673 % similar (±)-Phenylalanine methyl ester hydrochloride5619-07-873 % similar Methyl L-phenylalaninate hydrochloride7524-50-773 % similar D-Tyrosine, ethyl ester, hydrochloride (1:1)23234-43-772 % similar Ethyl L-tyrosinate hydrochloride4089-07-072 % similar DL-(p-Chlorophenyl)alanine methyl ester hydrochloride14173-40-171 % similar L-Dopa methyl ester hydrochloride1421-65-470 % similar

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

Same formula

Methyl L-tyrosinate hydrochloride3417-91-2

Elsewhere

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