(2S)-2-{[(2R)-2-Ammoniopropanoyl]Amino}-3-Phenylpropanoate

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Formula C12H16N2O3
IUPAC Name (2s)-2-[[(2r)-2-aminopropanoyl]amino]-3-phenyl-propanoic acid
Molecular Mass 236.267 g·mol−1
Heat of Formation -515.5 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 289.61 Å 3
Surface Area 250.06 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 2.99 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2r)-2-ammonio-1-oxopropyl]amino]-3-phenylpropanoate
  • (2s)-2-[[(2r)-2-ammoniopropanoyl]amino]-3-phenyl-propionate
  • (2s)-2-[[(2r)-2-azaniumylpropanoyl]amino]-3-phenyl-propanoate
  • (2s)-2-[[(2r)-2-azaniumylpropanoyl]amino]-3-phenylpropanoate
InChIKey OMNVYXHOSHNURL-SCZZXKLOSA-N
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