chempirical

Boc-L-tyrosine

C14H19NO5CAS 3978-80-1281.31 g/mol

Open in Covalent MOL file
OONHOHOHO
Carboxylic acidPhenol

Properties

Molecular formula
C14H19NO5
Molar mass
281.31 g/mol
Exact mass
281.1263 Da
Melting point
138–139 °C
logP
2.12Crippen estimate
Polar surface area
99.3 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
3978-80-1
SMILES
CC(C)(C)OC(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIKey
CNBUSIJNWNXLQQ-NSHDSACASA-N
InChI
InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(12(17)18)8-9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-
  • Tyrosine, N-carboxy-, N-tert-butyl ester, L-
  • Tyrosine, N-carboxy-, N-tert-butyl ester
  • N-[(1,1-Dimethylethoxy)carbonyl]-L-tyrosine
  • N-tert-Butoxycarbonyl-L-tyrosine
  • N-(tert-Butoxycarbonyl)tyrosine
  • N-(tert-Butyloxycarbonyl)-L-tyrosine
  • tert-Butoxycarbonyl-L-tyrosine
  • N-Boc-L-tyrosine
  • (2S)-2-[(tert-Butoxycarbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
  • NSC 334307
  • (2S)-3-(4-Hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Work with Boc-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

N-[(1,1-Dimethylethoxy)carbonyl]-4-methyl-D-phenylalanine80102-27-880 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-980 % similar 4-Amino-N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanine164332-89-278 % similar N-(tert-Butoxycarbonyl)-D-4-chlorophenylalanine57292-44-178 % similar (2R)-2-(tert-Butoxycarbonylamino)-3-(4-fluorophenyl)propanoic acid57292-45-278 % similar N-tert-Butoxycarbonyl-4-iodo-L-phenylalanine62129-44-678 % similar 4-Cyano-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine131724-45-377 % similar N-[(1,1-Dimethylethoxy)carbonyl]-4-(trifluoromethyl)-L-phenylalanine114873-07-375 % similar

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

Same formula

(R)-2-((tert-Butoxycarbonyl)amino)-2-(2-methoxyphenyl)acetic acid1217786-73-6 (2R,3S)-Boc-3-phenylisoserine145514-62-1

Elsewhere

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