(1R,2S,3S)-2-[(R)-Amino(Carboxy)Methyl]-3-Phenylcyclopropanecarboxylic Acid

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Properties Simple | Detailed

Formula C12H13NO4
IUPAC Name (1r,2s,3s)-2-[(r)-amino(carboxy)methyl]-3-phenyl-cyclopropanecarboxylic acid
Molecular Mass 235.236 g·mol−1
Heat of Formation -565.0 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 280.17 Å 3
Surface Area 256.57 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s,3s)-2-[(1r)-1-amino-2-hydroxy-2-keto-ethyl]-3-phenyl-cyclopropane-1-carboxylic acid
  • (1r,2s,3s)-2-[(1r)-1-amino-2-hydroxy-2-oxo-ethyl]-3-phenyl-cyclopropane-1-carboxylic acid
  • (1r,2s,3s)-2-[(1r)-1-amino-2-hydroxy-2-oxoethyl]-3-phenyl-1-cyclopropanecarboxylic acid
  • (1r,2s,3s)-2-[(1r)-1-amino-2-hydroxy-2-oxoethyl]-3-phenylcyclopropane-1-carboxylic acid
InChIKey IFLWVSHRWAIVQF-AXTSPUMRSA-N
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