chempirical

N-tert-Butoxycarbonyl-O-benzylthreonine

C16H23NO5CAS 15260-10-3309.36 g/mol

Open in Covalent MOL file
ONHOOOHO
Carboxylic acidEther

Properties

Molecular formula
C16H23NO5
Molar mass
309.36 g/mol
Exact mass
309.1576 Da
logP
2.77Crippen estimate
Polar surface area
88.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
15260-10-3
SMILES
C[C@@H](OCc1ccccc1)[C@H](N=C(O)OC(C)(C)C)C(=O)O
InChIKey
CTXPLTPDOISPTE-YPMHNXCESA-N
InChI
InChI=1S/C16H23NO5/c1-11(21-10-12-8-6-5-7-9-12)13(14(18)19)17-15(20)22-16(2,3)4/h5-9,11,13H,10H2,1-4H3,(H,17,20)(H,18,19)/t11-,13+/m1/s1

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

Names and synonyms

12 names
  • L-Threonine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-
  • (2S,3R)-3-Benzyloxy-2-(tert-butoxycarbonylamino)butanoic acid
  • N-Boc-O-benzyl-L-threonine
  • Boc-L-thr(OBn)-OH
  • Butyric acid, 3-(benzyloxy)-2-(carboxyamino)-, N-tert-butyl ester, Ls-threo-
  • N-[(1,1-Dimethylethoxy)carbonyl]-O-(phenylmethyl)-L-threonine
  • N-tert-Butoxycarbonyl-O-benzyl-L-threonine
  • N-(tert-Butyloxycarbonyl)-O-benzyl-L-threonine
  • tert-Butoxycarbonyl-O-benzylthreonine
  • N-(tert-Butoxycarbonyl)threonine benzyl ether
  • (2S,3R)-2-(tert-Butoxycarbonylamino)-3-benzyloxybutanoic acid
  • NSC 334365

Work with N-tert-Butoxycarbonyl-O-benzylthreonine

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

1,1-Dimethylethyl N-[(1R,2R)-1-(hydroxymethyl)-2-(phenylmethoxy)propyl]carbamate133565-43-266 % similar N-tert-Butoxycarbonyl-O-benzylserine23680-31-163 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-962 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-L-threonine13734-40-261 % similar L-Threonine, O-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)16966-07-761 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-methyl-L-threonine48068-25-360 % similar N-tert-Butoxycarbonyl-L-aspartic acid β-benzyl ester7536-58-560 % similar 5-(Phenylmethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13574-13-559 % similar

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

Same formula

N-[(1,1-Dimethylethoxy)carbonyl]-O-ethyl-L-tyrosine76757-91-0 N-[(1,1-Dimethylethoxy)carbonyl]-O-ethyl-D-tyrosine76757-92-1

Elsewhere

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