Ethyl 3-oxo-2-piperazineacetate

C₈H₁₄N₂O₃CAS 33422-35-4186.21 g/mol

Open in Covalent MOL file

Ester Secondary 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 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

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

Diethyl 3-hydroxyglutarate32328-03-345 % 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 Ethyl 3,3-diethoxypropionate10601-80-641 % similar Ethyl glycolate623-50-741 % 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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