chempirical

(2S,3S)-(-)-3-tert-Butoxycarbonylamino-1,2-epoxy-4-phenylbutane

C15H21NO3CAS 98737-29-2263.34 g/mol

Open in Covalent MOL file
OONHO
EpoxideEther

Properties

Molecular formula
C15H21NO3
Molar mass
263.34 g/mol
Exact mass
263.1521 Da
Melting point
121–122 °C
logP
2.73Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
98737-29-2
SMILES
CC(C)(C)OC(O)=N[C@@H](Cc1ccccc1)[C@H]1CO1
InChIKey
NVPOUMXZERMIJK-QWHCGFSZSA-N
InChI
InChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-12(13-10-18-13)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,16,17)/t12-,13+/m0/s1

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Names and synonyms

10 names
  • Carbamic acid, N-[(1S)-1-[(2S)-2-oxiranyl]-2-phenylethyl]-, 1,1-dimethylethyl ester
  • Carbamic acid, (1-oxiranyl-2-phenylethyl)-, 1,1-dimethylethyl ester, [S-(R*,R*)]-
  • Carbamic acid, [(1S)-1-(2S)-oxiranyl-2-phenylethyl]-, 1,1-dimethylethyl ester
  • tert-Butyl [(1S)-1-((2S)-oxiranyl)-2-phenylethyl]carbamate
  • (2S)-[(1S)-1-[(tert-Butoxycarbonyl)amino]-2-phenylethyl]oxirane
  • tert-Butyl [(1S)-1-[(2S)-oxiranyl]-2-phenylethyl]carbamate
  • [(1S)-1-((2S)-Oxiranyl)-2-phenylethyl]carbamic acid tert-butyl ester
  • tert-Butyl [(1S)-1-((2S)-oxiran-2-yl)-2-phenylethyl]carbamate
  • (2S,3S)-3-[(tert-Butoxycarbonyl)amino]-1,2-epoxy-4-phenylbutane
  • tert-Butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate

Work with (2S,3S)-(-)-3-tert-Butoxycarbonylamino-1,2-epoxy-4-phenylbutane

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-[(1S,2R)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]carbamate162536-40-565 % similar 1,1-Dimethylethyl N-[(1S,2S)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]carbamate165727-45-765 % similar 1,1-Dimethylethyl N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]carbamate160232-08-662 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-959 % similar 1,1-Dimethylethyl N-[(1R,2R)-1-(hydroxymethyl)-2-(phenylmethoxy)propyl]carbamate133565-43-258 % similar (βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenebutanoic acid101555-61-757 % similar 1,1-Dimethylethyl N-[(1R)-1-(hydroxymethyl)-2,2-diphenylethyl]carbamate155836-48-955 % similar N-Boc phenylalanyl chloride102123-74-055 % similar

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

Same formula

(2R,3S)-3-(tert-Butoxycarbonylamino)-1,2-epoxy-4-phenylbutane98760-08-8

Elsewhere

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