5-(Hydroxymethyl-2-furoyl)glycine

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Basic information

CAS: 38716-68-6
Standard SMILES: O=C(O)CNC(=O)c1ccc(CO)o1
InChIKey: HBULKUDERNWOBN-UHFFFAOYSA-N
Molecular formula: C8H9NO5
Average molar mass: 199.16 g/mol
Monoisotopic mass: 199.04807239

Names & identifiers

Preferred name: 5-(Hydroxymethyl-2-furoyl)glycine
IUPAC: 2-[[5-(hydroxymethyl)furan-2-carbonyl]amino]acetic acid

Names & synonyms

38716-68-65-(Hydroxymethyl-2-furoyl)glycineDTXSID5033096J2.321.748APyromucuric acid, 5-(hydroxymethyl)-UNII-1R16II37V41R16II37V4Glycine, N-((5-(hydroxymethyl)-2-furanyl)carbonyl)-DTXCID3013096Glycine, N-[[5-(hydroxymethyl)-2-furanyl]carbonyl]-RefChem:1018045-Hydroxymethyl-2-furoylglycine

Show more names

(5-(Hydroxymethyl)furan-2-carbonyl)glycine2-[[5-(hydroxymethyl)furan-2-carbonyl]amino]acetic acidNCGC00091529-01starbld0045788SCHEMBL70744672-{[5-(hydroxymethyl)furan-2-yl]formamido}acetic acidCHEMBL15104065-(Hydroxymethyl) furoyl glycine

Database identifiers

CAS: 38716-68-6
PubChem CID: 6537488
DTXSID: DTXSID5033096
ChEMBL: CHEMBL1510406
UNII: 1R16II37V4
Nikkaji: J2.321.748A

Properties

Computed structural properties

XLogP: -0.7
Topological polar surface area: 99.8 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 230

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Compound notes

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