chempirical

Ethyl acetamidoacetate

C6H11NO3CAS 1906-82-7145.16 g/mol

Open in Covalent MOL file
OONHO
Ester

Properties

Molecular formula
C6H11NO3
Molar mass
145.16 g/mol
Exact mass
145.0739 Da
Melting point
48 °C
Boiling point
106 °C (at 2 Torr)
logP
0.53Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1906-82-7
SMILES
CCOC(=O)CN=C(C)O
InChIKey
AMBDTBHJFINMSE-UHFFFAOYSA-N
InChI
InChI=1S/C6H11NO3/c1-3-10-6(9)4-7-5(2)8/h3-4H2,1-2H3,(H,7,8)

Weigh it out

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

Names and synonyms

7 names
  • Glycine, N-acetyl-, ethyl ester
  • Aceturic acid, ethyl ester
  • N-Acetylglycine ethyl ester
  • Ethyl N-acetylglycinate
  • Acetylglycine ethyl ester
  • Ethyl N-acetylglycine
  • N-Acetylglycine ethyl

Work with Ethyl acetamidoacetate

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

Ethyl N-formylglycinate3154-51-651 % similar Aceturic acid543-24-850 % similar N-(Diphenylmethylene)glycine ethyl ester69555-14-249 % similar Diethyl acetamidomalonate1068-90-249 % similar Ethyl isocyanatoacetate2949-22-649 % similar Ethyl 2-isothiocyanatoacetate24066-82-847 % similar Ethyl azidoacetate637-81-047 % similar Monoethyl malonate1071-46-147 % similar

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

Same formula

Ethyl N,N-dimethyloxamate16703-52-9 N,N-Dimethylsuccinamic acid2564-95-6 4-Acetamidobutyric acid3025-96-5 4-Morpholineacetic acid3235-69-6 Ac-ala-ome3619-02-1 4-Aminotetrahydro-2H-pyran-4-carboxylic acid39124-20-4 N-Formyl-L-valine4289-97-8 Ethyl 3-(methylamino)-3-oxopropanoate71510-95-7

Elsewhere

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