3,3-Dimethyl-5-oxo-5-[4-(2-pyrimidinyl)piperazino]pentanoic acid

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Systematic / IUPAC Name: 3,3-Dimethyl-5-oxo-5-[4-(2-pyrimidinyl)-1-piperazinyl]pentanoic acid

ID: Reference3980

Other Names: 3,3-Dimethyl-5-oxo-5-[4-(pyrimidin-2-yl)piperazin-1-yl]pentanoic acid;
1-Piperazinepentanoic acid, β,β-dimethyl-δ-oxo-4-(2-pyrimidinyl)-

Formula: C15H22N4O3

Spectral Data

3,3-Dimethyl-5-oxo-5-[4-(2-pyrimidinyl)piperazino]pentanoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/26/2016 12:52:09 PM
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Identificators

InChI InChI=1S/C15H22N4O3/c1-15(2,11-13(21)22)10-12(20)18-6-8-19(9-7-18)14-16-4-3-5-17-14/h3-5H,6-11H2,1-2H3,(H,21,22)
InChI Key XTRHXSWVHXVFSR-UHFFFAOYSA-N
Canonical SMILES CC(C)(CC(=O)N1CCN(CC1)C2=NC=CC=N2)CC(=O)O
CAS
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Other Names 3,3-Dimethyl-5-oxo-5-[4-(pyrimidin-2-yl)piperazin-1-yl]pentanoic acid;
1-Piperazinepentanoic acid, β,β-dimethyl-δ-oxo-4-(2-pyrimidinyl)-

In Other Databases

ChemSpider 2093921
PubChem 2815557