(2S)-4-Methyl-2-{[(2R)-2-Pyrrolidiniumylcarbonyl]Amino}Pentanoate

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Properties Simple | Detailed

Formula C11H20N2O3
IUPAC Name (2s)-4-methyl-2-[[(2r)-pyrrolidine-2-carbonyl]amino]pentanoic acid
Molecular Mass 228.288 g·mol−1
Heat of Formation -668.4 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 292.9 Å 3
Surface Area 261.76 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy 0.74 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-4-methyl-2-[[(2r)-pyrrolidin-1-ium-2-carbonyl]amino]pentanoate
  • (2s)-4-methyl-2-[[(2r)-pyrrolidin-1-ium-2-carbonyl]amino]valerate
  • (2s)-4-methyl-2-[[(2r)-pyrrolidin-1-ium-2-yl]carbonylamino]pentanoate
  • (2s)-4-methyl-2-[[oxo-[(2r)-2-pyrrolidin-1-iumyl]methyl]amino]pentanoate
InChIKey ZKQOUHVVXABNDG-BDAKNGLRSA-N
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