Ethyl 2-(acetylamino)-2-cyanoacetate

C7H10N2O3CAS 4977-62-2170.17 g/mol

Open in Covalent MOL file
OONNHO
EsterNitrile

Properties

Molecular formula
C7H10N2O3
Molar mass
170.17 g/mol
Exact mass
170.0691 Da
Melting point
129 °C
logP
0.42Crippen estimate
Polar surface area
82.7 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4977-62-2
SMILES
CCOC(=O)C(C#N)N=C(C)O
InChIKey
SLIRLABNGAZSHX-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2O3/c1-3-12-7(11)6(4-8)9-5(2)10/h6H,3H2,1-2H3,(H,9,10)

Weigh it out

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Names and synonyms

9 names
  • Acetic acid, 2-(acetylamino)-2-cyano-, ethyl ester
  • Glycine, N-acetyl-2-cyano-, ethyl ester
  • Acetic acid, (acetylamino)cyano-, ethyl ester
  • Ethyl acetamidocyanoacetate
  • Ethyl 2-acetamido-2-cyanoacetate
  • NSC 49313
  • NSC 8691
  • 2-(Acetylamino)-2-cyanoacetic acid ethyl ester
  • 2-Acetamido-2-cyanoacetic acid ethyl ester

Work with Ethyl 2-(acetylamino)-2-cyanoacetate

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 acetamidomalonate1068-90-263 % similar Ethyl 2-cyanopropanoate1572-99-250 % similar Ethyl 2,3-dicyanopropionate40497-11-848 % similar N-Acetyl-L-tyrosine ethyl ester840-97-147 % similar Ethyl acetamidoacetate1906-82-745 % similar Ethyl 2,2-diethoxyethylcyanoacetate52133-67-244 % similar N-Acetyl-L-tryptophan ethyl ester2382-80-144 % similar Ethyl α-cyanophenylacetate4553-07-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4,6-Trimethoxypyrimidine13106-85-9

Elsewhere

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