Ethyl N-[(2S)-4-Methyl-1-Oxo-1-(1-Pyrrolidinyl)-2-Pentanyl]-D-Alaninate

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Properties Simple | Detailed

Formula C15H28N2O3
IUPAC Name ethyl (2r)-2-[[(1s)-3-methyl-1-(pyrrolidine-1-carbonyl)butyl]amino]propanoate
Molecular Mass 284.394 g·mol−1
Heat of Formation -708.6 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 383.73 Å 3
Surface Area 316.92 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 3.91 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[(1s)-3-methyl-1-(oxo-1-pyrrolidinylmethyl)butyl]amino]propanoic acid ethyl ester
  • (2r)-2-[[(1s)-3-methyl-1-(pyrrolidine-1-carbonyl)butyl]amino]propionic acid ethyl ester
  • d-alanine, n-(3-methyl-1-(1-pyrrolidinylcarbonyl)butyl)-, ethyl ester, (s)-
  • ethyl (2r)-2-[[(1s)-3-methyl-1-(pyrrolidine-1-carbonyl)butyl]amino]propanoate
  • ethyl (2r)-2-[[(2s)-4-methyl-1-oxo-1-pyrrolidin-1-yl-pentan-2-yl]amino]propanoate
  • ethyl (2r)-2-[[(2s)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]amino]propanoate
  • sc 42619
  • sc-42619
CAS Number(s)
  • 107534-95-2
InChIKey DNRHOTFXZPRQBA-OLZOCXBDSA-N
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