chempirical

O-tert-Butyl-L-tyrosine

C13H19NO3CAS 18822-59-8237.30 g/mol

Open in Covalent MOL file
ONH2OOH
Carboxylic acidEtherPrimary amine

Properties

Molecular formula
C13H19NO3
Molar mass
237.30 g/mol
Exact mass
237.1365 Da
Melting point
248–249.5 °C (decomposes)
logP
1.82Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
18822-59-8
SMILES
CC(C)(C)Oc1ccc(C[C@H](N)C(=O)O)cc1
InChIKey
SNZIFNXFAFKRKT-NSHDSACASA-N
InChI
InChI=1S/C13H19NO3/c1-13(2,3)17-10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m0/s1

Weigh it out

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

Names and synonyms

6 names
  • L-Tyrosine, O-(1,1-dimethylethyl)-
  • Alanine, 3-(p-tert-butoxyphenyl)-, L-
  • O-(1,1-Dimethylethyl)-L-tyrosine
  • O-tert-Butyltyrosine
  • Tyrosine tert-butyl ether
  • (S)-2-Amino-3-(4-(tert-butoxy)phenyl)propanoic acid

Work with O-tert-Butyl-L-tyrosine

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

O-Methyl-D-tyrosine39878-65-468 % similar O-Methyl-L-tyrosine6230-11-168 % similar Dl-thyronine1034-10-263 % similar Thyronine1596-67-463 % similar Methyl (S)-2-amino-3-(4-tert-butoxyphenyl)propanoate hydrochloride51482-39-462 % similar 4-Methyl-L-phenylalanine1991-87-361 % similar D-Tyrosine556-02-560 % similar Dl-tyrosine556-03-660 % 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 L-Tyrosine 1,1-dimethylethyl ester16874-12-7

Elsewhere

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