bmse000615 2-furoylglycine at BMRB

2-furoylglycine

Glycine, N-(2-furanylcarbonyl)- (9CI); N-(2-Furanylcarbonyl)glycine; Glycine, N-2-furoyl-; GLYCINE, N-2-FUROYL-; Glycine, 1-furoyl-; N-(2-Furoyl)glycine; Furfuroylglycine; Furoilglicina [Italian]; 2-Furoylglycine; Furoylglycine; Pyromucuric acid

Molecular Formula: C7 H7 N O4
Natural Isotopic Abundance Mass: 169.13478
Mono-Isotopic Molecular Masses: C12N14: 169.0375077183; C13N14: 176.0609915829; C12N15: 170.0345426115; C13N15: 177.0580264761

2-furoylglycine

InCHi String:
InChI=1S/C7H7NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10)

canonical and isomeric SMILES:
C1=COC(=C1)C(=O)NCC(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME
2-(furan-2-carbonylamino)acetic acid

PUBCHEM iupac TRADITIONAL NAME
2-(2-furoylamino)acetic acid

PUBCHEM iupac CAS NAME
2-[[2-furyl(oxo)methyl]amino]acetic acid

PUBCHEM iupac SYSTEMATIC NAME
2-(furan-2-ylcarbonylamino)ethanoic acid

PubChem Substance (SID):   111677758   24865428   164573
PubChem Compound (CID):   21863
KEGG: Compound ID   n/a
CAS Registry IDs:   5657-19-2
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 407143_ALDRICH   Beilstein Handbook Reference 4-18-00-03955   ChemIDplus 005657192   NIST 1853106001   MMCD cq_10620   MDL MFCD00030606

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.