Biological Magnetic Resonance Data Bank

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

1-(dimethylcarbamoyl)cyclopropane-1-carboxylic Acid

NMR Quality Control Of Fragment Libraries For Screening synonyms


Graphical representations:


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Molecular Formula: C7H11NO3

Natural Isotopic Abundance Mass: 157.1671399999999

Mono-Isotopic Molecular Masses:

  • C12N14: 157.073893217
  • C13N14: 164.09737708300003
  • C12N15: 158.07092811
  • C13N15: 165.09441197600003

InChI string: InChI=1S/C7H11NO3/c1-8(2)5(9)7(3-4-7)6(10)11/h3-4H2,1-2H3,(H,10,11)

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,