3-[3-(2-Carboxyethyl)-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl]-L-Alanine

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Properties Simple | Detailed

Formula C10H13N3O6
IUPAC Name (2s)-2-amino-3-[3-(2-carboxyethyl)-2,4-dioxo-pyrimidin-1-yl]propanoic acid
Molecular Mass 271.227 g·mol−1
Heat of Formation -1068.7 ± 16.7 kJ·mol−1
Dipole Moment 5.71 ± 1.08 D
Volume 300.74 Å 3
Surface Area 274.47 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[3-(2-carboxyethyl)-2,4-diketo-pyrimidin-1-yl]propionic acid
  • (2s)-2-amino-3-[3-(2-carboxyethyl)-2,4-dioxo-1-pyrimidinyl]propanoic acid
  • (2s)-2-amino-3-[3-(2-carboxyethyl)-2,4-dioxo-pyrimidin-1-yl]propanoic acid
InChIKey CNWDQZBURPNJRN-LURJTMIESA-N
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