Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Methyl 1-(2-amino-2-oxoethyl)piperidine-4-carboxylate

NMR Quality Control Of Fragment Libraries For Screening synonyms


Graphical representations:


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Molecular Formula: C9H16N2O3

Natural Isotopic Abundance Mass: 200.23493999999988

Mono-Isotopic Molecular Masses:

  • C12N14: 200.116092382
  • C13N14: 209.14628592400004
  • C12N15: 202.11016216800002
  • C13N15: 211.14035571000005

InChI string: InChI=1S/C9H16N2O3/c1-14-9(13)7-2-4-11(5-3-7)6-8(10)12/h7H,2-6H2,1H3,(H2,10,12)

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,