Dimethyloxalylglycine

C6H9NO5CAS 89464-63-1175.14 g/mol

Open in Covalent MOL file
OONHOOO
AmideEster

Properties

Molecular formula
C6H9NO5
Molar mass
175.14 g/mol
Exact mass
175.0481 Da
logP
-1.55Crippen estimate
Polar surface area
81.7 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
89464-63-1
SMILES
COC(=O)CNC(=O)C(=O)OC
InChIKey
BNJOZDZCRHCODO-UHFFFAOYSA-N
InChI
InChI=1S/C6H9NO5/c1-11-4(8)3-7-5(9)6(10)12-2/h3H2,1-2H3,(H,7,9)

Weigh it out

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Names and synonyms

1 names
  • Dmog

Work with Dimethyloxalylglycine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dimethyl iminodiacetate hydrochloride39987-25-248 % similar Boc-glycine methyl ester31954-27-547 % similar Dimethyl 2-oxoglutarate13192-04-645 % similar Methyl sarcosinate hydrochloride13515-93-045 % similar Dimethyl itaconate617-52-744 % similar Dimethyl succinate106-65-043 % similar Dimethyl malonate108-59-843 % similar Dimethyl oxalate553-90-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Acetylaspartic acid2545-40-6 N-Acetyl-L-aspartic acid997-55-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook