Methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate

Methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate bmse011297 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C12H22N2O3

Natural Isotopic Abundance Mass: 242.3146799999998

Mono-Isotopic Molecular Masses:

  • C12N14: 242.163042574
  • C13N14: 254.20330063000006
  • C12N15: 244.15711236
  • C13N15: 256.19737041600007

InChI string: InChI=1S/C12H22N2O3/c1-12(2,3)13-11(16)14-7-5-9(6-8-14)10(15)17-4/h9H,5-8H2,1-4H3,(H,13,16)

wwPDB CCD: K0V

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)