BMRB

Biological Magnetic Resonance Data Bank


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

1-acetylazetidine-3-carboxylic Acid

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C6H9NO3

Natural Isotopic Abundance Mass: 143.1405599999999

Mono-Isotopic Molecular Masses:

  • C12N14: 143.058243153
  • C13N14: 149.07837218100002
  • C12N15: 144.055278046
  • C13N15: 150.07540707400003

InChI string: InChI=1S/C6H9NO3/c1-4(8)7-2-5(3-7)6(9)10/h5H,2-3H2,1H3,(H,9,10)

IUPAC: 1-acetylazetidine-3-carboxylic acid

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)