|
Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
Member of
![]() |
Glycine, N-2-furoyl-, methyl ester; N-(2-Furoyl)glycine methyl ester; Glycine, N-(2-furanylcarbonyl)-, methyl ester
Molecular Formula: C8 H9 N O4
Natural Isotopic Abundance Mass: 183.16136
Mono-Isotopic Molecular Masses:
InChI String: InChI=1S/C8H9NO4/c1-12-7(10)5-9-8(11)6-3-2-4-13-6/h2-4H,5H2,1H3,(H,9,11)
canonical and isomeric SMILES: COC(=O)CNC(=O)C1=CC=CO1
PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME
methyl 2-(furan-2-carbonylamino)acetate
PUBCHEM iupac TRADITIONAL NAME
2-(2-furoylamino)acetic acid methyl ester
PUBCHEM iupac CAS NAME
2-[[2-furyl(oxo)methyl]amino]acetic acid methyl ester
PUBCHEM iupac SYSTEMATIC NAME
methyl 2-(furan-2-ylcarbonylamino)ethanoate
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
Atom numbering calculated using ALATIS. Citation: 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