L-Tyrosine ethyl ester

C11H15NO3CAS 949-67-7209.25 g/mol

Open in Covalent MOL file
OOH2NOH
EsterPhenolPrimary 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 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

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

Weigh it out

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

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.

Ethyl L-tyrosinate hydrochloride4089-07-0Salt D-Tyrosine ethyl ester hydrochloride23234-43-7Salt, enantiomer

Similar compounds

Methyl L-tyrosinate1080-06-470 % similar Phenylalanine ethyl ester hydrochloride3182-93-267 % similar H-D-Phe-oet hcl63060-94-667 % 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 4-Nitro-L-phenylalanine ethyl ester hydrochloride58816-66-359 % 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 5-(Piperidin-1-ylmethyl)furan-2-carboxylic acid301353-36-6 Benzyl N-(3-hydroxypropyl)carbamate34637-22-4 (2S,3R)-2-Amino-3-(benzyloxy)butanoic acid4378-10-3 (4-Hydroxyphenyl)carbamic acid tert-butyl ester54840-15-2 N-Benzyloxycarbonyl-D-alaninol61425-27-2 Benzyl N-((2S)-1-hydroxypropan-2-yl)carbamate66674-16-6

Elsewhere

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