chempirical

Diethyl aminomalonate

C7H13NO4CAS 6829-40-9175.18 g/mol

Open in Covalent MOL file
OONH2OO
EsterPrimary amine

Properties

Molecular formula
C7H13NO4
Molar mass
175.18 g/mol
Exact mass
175.0845 Da
Melting point
170 °C
Boiling point
116–118 °C (at 12 Torr)
logP
-0.56Crippen estimate
Polar surface area
78.6 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4

Identifiers

CAS number
6829-40-9
SMILES
CCOC(=O)C(N)C(=O)OCC
InChIKey
WLTCKEHCTUYJGI-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4,8H2,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Propanedioic acid, 2-amino-, 1,3-diethyl ester
  • Malonic acid, amino-, diethyl ester
  • Propanedioic acid, amino-, diethyl ester
  • Diethyl 2-aminomalonate
  • Aminomalonic acid diethyl ester
  • NSC 121992
  • 1,3-Diethyl 2-aminopropanedioate

Work with Diethyl aminomalonate

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

1,1,1-Triethyl methanetricarboxylate6279-86-363 % similar Ethyl cyclopropanecarboxylate4606-07-958 % similar Ethyl isobutyrate97-62-158 % similar Ethyl cyclohexanecarboxylate3289-28-957 % similar (S)-Alanine ethyl ester hydrochloride1115-59-957 % similar DL-α-Alanine ethyl ester hydrochloride617-27-657 % similar 1,3-Diethyl 2-ethylpropanedioate133-13-156 % similar (-)-Diethyl tartrate13811-71-756 % similar

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

Same formula

Ethyl L-glutamate1119-33-1 N-[Tris(hydroxymethyl)methyl]acrylamide13880-05-2 Valienamine38231-86-6 N-(tert-Butoxycarbonyl)glycine4530-20-5 2-Aminopimelic acid627-76-9 N-(Methoxycarbonyl)-L-valine74761-42-5

Elsewhere

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