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

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Properties Simple | Detailed

Formula C13H14N2O4
IUPAC Name 2-[(2s,5s)-5-benzyl-3,6-dioxo-piperazin-2-yl]acetic acid
Molecular Mass 262.261 g·mol−1
Heat of Formation -639.1 ± 16.7 kJ·mol−1
Dipole Moment 1.48 ± 1.08 D
Volume 299.59 Å 3
Surface Area 276.51 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (2s-cis)-(−)-5-benzyl-3,6-dioxo-2-piperazineacetic acid
  • (2s-cis)-5-benzyl-3,6-dioxopiperazine-2-acetic acid
  • 2-[(2s,5s)-3,6-dioxo-5-(phenylmethyl)-2-piperazinyl]acetic acid
  • 2-[(2s,5s)-3,6-dioxo-5-(phenylmethyl)piperazin-2-yl]acetic acid
  • 2-[(2s,5s)-3,6-dioxo-5-(phenylmethyl)piperazin-2-yl]ethanoic acid
  • 2-[(2s,5s)-5-(benzyl)-3,6-diketo-piperazin-2-yl]acetic acid
  • 3-phenylmethyl-2,5-diketopiperazine-6-acetic acid
  • cyclo(aspartyl-phenylalanyl)
CAS Number(s)
  • 5262-10-2
InChIKey VNHJXYUDIBQDDX-UWVGGRQHSA-N
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