[(2S,5S)-5-Isopropyl-3,6-Dioxo-2-Piperazinyl]Acetic Acid

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Properties Simple | Detailed

Formula C9H14N2O4
IUPAC Name 2-[(2s,5s)-5-isopropyl-3,6-dioxo-piperazin-2-yl]acetic acid
Molecular Mass 214.218 g·mol−1
Heat of Formation -790.6 ± 16.7 kJ·mol−1
Dipole Moment 1.38 ± 1.08 D
Volume 251.4 Å 3
Surface Area 233.5 Å 2
HOMO Energy -10.10 ± 0.55 eV
LUMO Energy 0.40 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2s,5s)-3,6-dioxo-5-propan-2-yl-piperazin-2-yl]ethanoic acid
  • 2-[(2s,5s)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]acetic acid
  • 2-[(2s,5s)-5-isopropyl-3,6-diketo-piperazin-2-yl]acetic acid
  • 2-[(2s,5s)-5-isopropyl-3,6-dioxo-2-piperazinyl]acetic acid
  • 2-[(2s,5s)-5-isopropyl-3,6-dioxo-piperazin-2-yl]acetic acid
  • 2-piperazineacetic acid, 3,6-dioxo-5-isopropyl-, (2s-cis)-
  • 2-piperazineacetic acid, 5-(1-methylethyl)-3,6-dioxo-, (2s-cis)-
  • 3,6-dioxo-5-isopropyl-2-piperazineacetic acid
  • cairomycin a
CAS Number(s)
  • 78859-46-8
InChIKey XPFDXOQLCBSANS-FSPLSTOPSA-N
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