chempirical

Boc-O-ethyl-L-tyrosine

C16H23NO5CAS 76757-91-0309.36 g/mol

Open in Covalent MOL file
OHNOOOOH
Carboxylic acidEther

Properties

Molecular formula
C16H23NO5
Molar mass
309.36 g/mol
Exact mass
309.1576 Da
Melting point
80–81 °C
logP
2.81Crippen estimate
Polar surface area
88.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
76757-91-0
SMILES
CCOc1ccc(C[C@H](N=C(O)OC(C)(C)C)C(=O)O)cc1
InChIKey
NCLAAKQIHUIOIV-ZDUSSCGKSA-N
InChI
InChI=1S/C16H23NO5/c1-5-21-12-8-6-11(7-9-12)10-13(14(18)19)17-15(20)22-16(2,3)4/h6-9,13H,5,10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m0/s1

Weigh it out

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

Names and synonyms

3 names
  • N-[(1,1-Dimethylethoxy)carbonyl]-O-ethyl-L-tyrosine
  • L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-ethyl-
  • (2S)-3-(4-Ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Work with Boc-O-ethyl-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

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.

Boc-D-tyr(et)-OH76757-92-1Enantiomer

Similar compounds

O-Benzyl-N-((tert-butoxy)carbonyl)-L-tyrosine2130-96-375 % similar Boc-L-tyrosine3978-80-173 % similar N-[(1,1-Dimethylethoxy)carbonyl]-4-methyl-D-phenylalanine80102-27-872 % similar Boc-L-phenylalanine13734-34-471 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-971 % similar 4-Amino-N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanine164332-89-271 % similar N-Boc-4-chloro-D-phenylalanine57292-44-171 % similar (2R)-2-(((tert-Butoxy)carbonyl)amino)-3-(4-fluorophenyl)propanoic acid57292-45-271 % similar

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

Same formula

N-tert-Butoxycarbonyl-O-benzylthreonine15260-10-3 O-tert-Butyl-N-carbobenzoxy-L-serine methyl ester1872-59-9

Elsewhere

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