L-Tyrosine ethyl ester

C₁₁H₁₅NO₃CAS 949-67-7209.25 g/mol

Open in Covalent MOL file

Ester Phenol Primary amine

Properties

Molecular formula: C₁₁H₁₅NO₃
Molar mass: 209.25 g/mol
Exact mass: 209.1052 Da
Melting point: 105 °C
Boiling point: 40 °C
logP: 0.83Crippen estimate
Polar surface area: 72.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

949-67-7

SMILES

CCOC(=O)[C@@H](N)Cc1ccc(O)cc1

InChIKey

SBBWEQLNKVHYCX-JTQLQIEISA-N

InChI

InChI=1S/C11H15NO3/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8/h3-6,10,13H,2,7,12H2,1H3/t10-/m0/s1

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

Names and synonyms

7 names

L-Tyrosine, ethyl ester
Tyrosine, ethyl ester, L-
(S)-Tyrosine ethyl ester
Ethyl L-tyrosinate
NSC 519993
Ethyl (S)-2-amino-3-(4-hydroxyphenyl)propionate
Ethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate

Work with L-Tyrosine ethyl ester

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

D-Tyrosine, ethyl ester, hydrochloride (1:1)23234-43-792 % similar Ethyl L-tyrosinate hydrochloride4089-07-092 % similar Methyl L-tyrosinate1080-06-470 % similar Phenylalanine ethyl ester hydrochloride3182-93-267 % similar DL-p-Chlorophenylalanine ethyl ester hydrochloride52031-05-766 % similar L-Tyrosine 1,1-dimethylethyl ester16874-12-765 % similar Methyl L-tyrosinate hydrochloride3417-91-265 % similar Methyl D-tyrosinate hydrochloride3728-20-965 % similar

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

Same formula

Propoxur114-26-1 Ethyl-4-acetyl-3,5-dimethylpyrrole-2-carboxylate2386-26-7 (4-Hydroxyphenyl)carbamic acid tert-butyl ester54840-15-2

Elsewhere

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