Methyl L-tyrosinate

C10H13NO3CAS 1080-06-4195.22 g/mol

Open in Covalent MOL file
OOH2NOH
EsterPhenolPrimary amine

Properties

Molecular formula
C10H13NO3
Molar mass
195.22 g/mol
Exact mass
195.0895 Da
Melting point
135–139 °C
logP
0.43Crippen 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 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1080-06-4
SMILES
COC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIKey
MWZPENIJLUWBSY-VIFPVBQESA-N
InChI
InChI=1S/C10H13NO3/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6,11H2,1H3/t9-/m0/s1

Weigh it out

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

Names and synonyms

10 names
  • L-Tyrosine, methyl ester
  • Tyrosine, methyl ester, L-
  • Tyrosine methyl ester
  • Methyl tyrosinate
  • Methyl (2S)-3-(4-hydroxyphenyl)-2-aminopropionate
  • Methyl (2S)-2-amino-3-(4-hydroxyphenyl)propionate
  • (S)-2-Amino-3-(4-hydroxyphenyl)propionic acid methyl ester
  • Methyl (S)-2-amino-3-(4-hydroxyphenyl)propanoate
  • S-Tyrosine methyl ester
  • Methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate

Work with Methyl L-tyrosinate

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-tyrosinate hydrochloride3417-91-2Salt Methyl D-tyrosinate hydrochloride3728-20-9Salt, enantiomer

Similar compounds

Phenylalanine methyl ester2577-90-470 % similar L-Tyrosine ethyl ester949-67-770 % similar L-Tyrosine 1,1-dimethylethyl ester16874-12-768 % similar Methyl 4-bromo-L-phenylalaninate hydrochloride99359-32-768 % similar D-Tyrosine ethyl ester hydrochloride23234-43-765 % similar Ethyl L-tyrosinate hydrochloride4089-07-065 % similar Methyl (R)-phenylalaninate hydrochloride13033-84-665 % similar Methyl 3-phenyl-DL-alaninate hydrochloride5619-07-865 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

O-(Phenylmethyl)-D-serine10433-52-0 (S)-3-Amino-3-(4-methoxy-phenyl)-propionic acid131690-56-7 (R)-3-Amino-3-(4-methoxy-phenyl)-propionic acid131690-57-8 Ethyl 2-formyl-3,5-dimethylpyrrole-4-carboxylate2199-59-9 4-tert-Butyl-2-nitrophenol3279-07-0 3-Methoxy-L-phenylalanine33879-32-2 O-Methyl-D-tyrosine39878-65-4 5-(Pyrrolidin-1-ylmethyl)furan-2-carboxylic acid400750-49-4

Elsewhere

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