chempirical

1,3-Diethyl 2-(formylamino)propanedioate

C8H13NO5CAS 6326-44-9203.19 g/mol

Open in Covalent MOL file
OONHOOO
Ester

Properties

Molecular formula
C8H13NO5
Molar mass
203.19 g/mol
Exact mass
203.0794 Da
Melting point
48.5 °C
Boiling point
125–132 °C (at NaN Torr)
logP
0.07Crippen estimate
Polar surface area
85.2 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
5

Identifiers

CAS number
6326-44-9
SMILES
CCOC(=O)C(N=CO)C(=O)OCC
InChIKey
PFLHGSJLYNJIOF-UHFFFAOYSA-N
InChI
InChI=1S/C8H13NO5/c1-3-13-7(11)6(9-5-10)8(12)14-4-2/h5-6H,3-4H2,1-2H3,(H,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • Propanedioic acid, 2-(formylamino)-, 1,3-diethyl ester
  • Malonic acid, formamido-, diethyl ester
  • Propanedioic acid, (formylamino)-, diethyl ester
  • Diethyl formamidomalonate
  • Formamidomalonic acid diethyl ester
  • (Formylamino)malonic acid diethyl ester
  • Diethyl (formylamino)malonate
  • NSC 224129
  • NSC 30639
  • (Formylamino)propanedioic acid diethyl ester
  • Diethyl 2-formamidomalonate
  • 1,3-Diethyl 2-formamidopropanedioate

Work with 1,3-Diethyl 2-(formylamino)propanedioate

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

Diethyl acetamidomalonate1068-90-253 % similar (-)-Diethyl tartrate13811-71-750 % similar Diethyl tartrate87-91-250 % similar Ethyl N-formylglycinate3154-51-647 % similar Ethyl cyclopent-3-enecarboxylate21622-01-547 % similar Ethyl lactate687-47-847 % similar Ethyl lactate97-64-347 % similar Ethyl cyclopropanecarboxylate4606-07-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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