Methyl (2S,4R)-1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate

Methyl (2S,4R)-1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate bmse011301 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C11H13NO5

Natural Isotopic Abundance Mass: 239.22461999999993

Mono-Isotopic Molecular Masses:

  • C12N14: 239.079372521
  • C13N14: 250.11627573900006
  • C12N15: 240.07640741400002
  • C13N15: 251.11331063200006

InChI string: InChI=1S/C11H13NO5/c1-16-11(15)8-5-7(13)6-12(8)10(14)9-3-2-4-17-9/h2-4,7-8,13H,5-6H2,1H3/t7-,8+/m1/s1

IUPAC: methyl (2S,4R)-1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate

wwPDB CCD: GQJ

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)