3-[5-(Dimethylamino)-1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-Yl]-L-Alanine

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Properties Simple | Detailed

Formula C13H15N3O4
IUPAC Name (2s)-2-amino-3-[5-(dimethylamino)-1,3-dioxo-isoindolin-2-yl]propanoic acid
Molecular Mass 277.276 g·mol−1
Heat of Formation -555.0 ± 16.7 kJ·mol−1
Dipole Moment 7.32 ± 1.08 D
Volume 319.34 Å 3
Surface Area 284.88 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 1.97 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(5-dimethylamino-1,3-diketo-isoindolin-2-yl)propionic acid
  • (2s)-2-amino-3-(5-dimethylamino-1,3-dioxo-2-isoindolinyl)propanoic acid
  • (2s)-2-amino-3-(5-dimethylamino-1,3-dioxo-isoindol-2-yl)propanoic acid
  • (2s)-2-amino-3-(5-dimethylamino-1,3-dioxo-isoindolin-2-yl)propanoic acid
  • (2s)-2-amino-3-(5-dimethylamino-1,3-dioxoisoindol-2-yl)propanoic acid
  • 4-n,n-dimethylaminophthalimido-alanine
InChIKey NLRIIORQBUXJMD-JTQLQIEISA-N
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