(1S,2R)-2-{[2-(Hydroxyamino)-2-Oxoethyl](Methyl)Carbamoyl}Cyclohexanecarboxylic Acid

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Properties Simple | Detailed

Formula C11H18N2O5
IUPAC Name (1s,2r)-2-[[2-(hydroxyamino)-2-oxo-ethyl]-methyl-carbamoyl]cyclohexanecarboxylic acid
Molecular Mass 258.271 g·mol−1
Heat of Formation -855.5 ± 16.7 kJ·mol−1
Dipole Moment 4.55 ± 1.08 D
Volume 303.39 Å 3
Surface Area 261.15 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r)-2-(((hydroxycarbamoyl)methyl)methylcarbamoyl)cyclohexanecarboxylic acid
  • (1s,2r)-2-[[2-(hydroxyamino)-2-keto-ethyl]-methyl-carbamoyl]cyclohexane-1-carboxylic acid
  • (1s,2r)-2-[[2-(hydroxyamino)-2-oxo-ethyl]-methyl-carbamoyl]cyclohexane-1-carboxylic acid
  • (1s,2r)-2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
  • (1s,2r)-2-[[[2-(hydroxyamino)-2-oxoethyl]-methylamino]-oxomethyl]-1-cyclohexanecarboxylic acid
  • cyclohexanecarboxylic acid, 2-(((2-(hydroxyamino)-2-oxoethyl)methylamino)carbonyl)-, (1s-cis)-
CAS Number(s)
  • 127420-24-0
InChIKey QKIVRALZQSUWHH-SFYZADRCSA-N
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