Ethyl 3-oxo-2-piperazineacetate

C8H14N2O3CAS 33422-35-4186.21 g/mol

Open in Covalent MOL file
OONHHNO
EsterSecondary amine

Properties

Molecular formula
C8H14N2O3
Molar mass
186.21 g/mol
Exact mass
186.1004 Da
Melting point
109–110 °C
logP
-0.13Crippen estimate
Polar surface area
70.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
33422-35-4
SMILES
CCOC(=O)CC1NCCN=C1O
InChIKey
HNYRNJAZRKCHSC-UHFFFAOYSA-N
InChI
InChI=1S/C8H14N2O3/c1-2-13-7(11)5-6-8(12)10-4-3-9-6/h6,9H,2-5H2,1H3,(H,10,12)

Weigh it out

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

Names and synonyms

3 names
  • 2-Piperazineacetic acid, 3-oxo-, ethyl ester
  • Ethyl 2-(3-oxopiperazin-2-yl)acetate
  • 3-Oxopiperazin-2-ylacetic acid ethyl ester

Work with Ethyl 3-oxo-2-piperazineacetate

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 2-(piperidin-4-yl)acetate59184-90-645 % similar Diethyl 3-hydroxyglutarate32328-03-345 % similar Ethyl (3R)-3-hydroxybutanoate24915-95-543 % similar Ethyl 3-hydroxybutyrate35608-64-143 % similar Ethyl 3-hydroxybutyrate5405-41-443 % similar (+)-Ethyl 3-hydroxybutyrate56816-01-443 % similar 3-Carbethoxy-2-piperidone3731-16-643 % similar Ethyl isovalerate108-64-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

L-Alanyl-L-proline13485-59-1

Elsewhere

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