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CAT: 0127-BUP14066-06Size: 1 gDry Ice: NoHazardous: No
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CAS Number
89464-63-1
Synonyms
Dimethyloxalylglycine, Dimethyloxallyl Glycine, Dimethyloxaloylglycine
Purity
=80%
Smiles
COC(=O)CNC(=O)C(=O)OC

Chemical Information

Dimethyloxalylglycine

Dimethyloxalylglycine is a glycine derivative that is the diester obtained by formal condensation of the carboxy groups of N-oxalylglycine with two molecules of methanol. It has a role as an EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor and a neuroprotective agent. It is a secondary carboxamide, a glycine derivative and a methyl ester. It is functionally related to a N-oxalylglycine.

CAS Number89464-63-1
PubChem CID560326
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetate
Molecular FormulaC6H9NO5
Molecular Weight175.14
XLogP-0.3
Topological Polar Surface Area81.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count12
Formal Charge0
Complexity200
SMILES
COC(=O)CNC(=O)C(=O)OC
InChI
InChI=1S/C6H9NO5/c1-11-4(8)3-7-5(9)6(10)12-2/h3H2,1-2H3,(H,7,9)
InChIKey
BNJOZDZCRHCODO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dimethyloxalylglycine
CAS: 89464-63-1
CID: 560326
Formula: C6H9NO5
MW: 175.14
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight175.14
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass175.04807239
Monoisotopic Mass175.04807239
Topological Polar Surface Area81.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-15893-01DMOG

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