chempirical

L-Tyrosine 1,1-dimethylethyl ester

C13H19NO3CAS 16874-12-7237.30 g/mol

Open in Covalent MOL file
OOH2NOH
EsterPhenolPrimary amine

Properties

Molecular formula
C13H19NO3
Molar mass
237.30 g/mol
Exact mass
237.1365 Da
Melting point
143–145 °C
logP
1.60Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
16874-12-7
SMILES
CC(C)(C)OC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIKey
DIGHFXIWRPMGSA-NSHDSACASA-N
InChI
InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)11(14)8-9-4-6-10(15)7-5-9/h4-7,11,15H,8,14H2,1-3H3/t11-/m0/s1

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

Names and synonyms

7 names
  • L-Tyrosine, 1,1-dimethylethyl ester
  • Tyrosine, tert-butyl ester, L-
  • Tyrosine, tert-butyl ester
  • tert-Butyl L-tyrosinate
  • L-Tyrosine tert-butyl ester
  • (S)-2-Amino-3-(4-hydroxyphenyl)propionic acid tert-butyl ester
  • tert-Butyl (S)-2-amino-3-(4-hydroxyphenyl)propanoate

Work with L-Tyrosine 1,1-dimethylethyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl L-tyrosinate1080-06-468 % similar (S)-Phenylalanine tert-butyl ester hydrochloride15100-75-167 % similar L-Tyrosine ethyl ester949-67-765 % similar Methyl L-tyrosinate hydrochloride3417-91-264 % similar Methyl D-tyrosinate hydrochloride3728-20-964 % similar D-Tyrosine, ethyl ester, hydrochloride (1:1)23234-43-761 % similar Ethyl L-tyrosinate hydrochloride4089-07-061 % similar D-Tyrosine556-02-556 % similar

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

Same formula

1,1-Dimethylethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate102089-74-7 Boc-L-phenylglycinol117049-14-6 O-tert-Butyl-L-tyrosine18822-59-8

Elsewhere

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