2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-N-ethylacetamide

2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-N-ethylacetamide bmse011500 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C10H20N2O2

Natural Isotopic Abundance Mass: 200.27799999999982

Mono-Isotopic Molecular Masses:

  • C12N14: 200.15247789
  • C13N14: 210.18602627000004
  • C12N15: 202.146547676
  • C13N15: 212.18009605600005

InChI string: InChI=1S/C10H20N2O2/c1-4-11-10(13)6-12-5-9(3)14-7-8(12)2/h8-9H,4-7H2,1-3H3,(H,11,13)/t8-,9+/m0/s1

wwPDB CCD: S8D

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)