Tetaine

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Formula C12H18N2O5
IUPAC Name (2s)-2-[[(2s)-2-aminopropanoyl]amino]-3-[(1r,2r,6r)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid
Molecular Mass 270.282 g·mol−1
Heat of Formation -816.4 ± 16.7 kJ·mol−1
Dipole Moment 5.67 ± 1.08 D
Volume 322.02 Å 3
Surface Area 279.99 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(alanylamino)-3-[(1r,2r,6r)-5-keto-7-oxabicyclo[4.1.0]heptan-2-yl]propionic acid
  • (2s)-2-[[(2s)-2-amino-1-oxopropyl]amino]-3-[(1r,2r,6r)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid
  • (2s)-2-[[(2s)-2-aminopropanoyl]amino]-3-[(1r,2r,6r)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid
InChIKey XFOUAXMJRHNTOP-ZABDLSDTSA-N
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