(3R)-3-[(Cyclobutylcarbonyl)Oxy]-4-(Trimethylammonio)Butanoate

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Properties Simple | Detailed

Formula C12H22NO4+
IUPAC Name [(2r)-3-carboxy-2-(cyclobutanecarbonyloxy)propyl]-trimethyl-ammonium
Molecular Mass 244.307 g·mol−1
Heat of Formation -645.4 ± 16.7 kJ·mol−1
Dipole Moment 10.30 ± 1.08 D
Volume 312.95 Å 3
Surface Area 270.09 Å 2
HOMO Energy -7.89 ± 0.55 eV
LUMO Energy 0.85 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-(cyclobutanecarbonyloxy)-4-trimethylammonio-butanoate
  • (3r)-3-(cyclobutanecarbonyloxy)-4-trimethylammonio-butyrate
  • (3r)-3-(cyclobutanecarbonyloxy)-4-trimethylazaniumylbutanoate
  • (3r)-3-(cyclobutyl-oxomethoxy)-4-trimethylammoniobutanoate
  • (3r)-3-cyclobutylcarbonyloxy-4-trimethylazaniumyl-butanoate
  • 1-propanaminium, 3-carboxy-2-((cyclobutylcarbonyl)oxy)-n,n,n-trimethyl-, inner salt, (r)-
  • cyclobutane-carbonyl-carnitine
CAS Number(s)
  • 51220-40-7
InChIKey AKFOHAJXLDHIEH-SNVBAGLBSA-N
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