3-[(Bromoacetyl)Amino]-L-Alanine

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Properties Simple | Detailed

Formula C5H9BrN2O3
IUPAC Name (2s)-2-amino-3-[(2-bromoacetyl)amino]propanoic acid
Molecular Mass 225.041 g·mol−1
Heat of Formation -569.7 ± 16.7 kJ·mol−1
Dipole Moment 3.09 ± 1.08 D
Volume 204.53 Å 3
Surface Area 195.42 Å 2
HOMO Energy -10.11 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(2-bromoethanoylamino)propanoic acid
  • (2s)-2-amino-3-[(2-bromo-1-oxoethyl)amino]propanoic acid
  • (2s)-2-amino-3-[(2-bromoacetyl)amino]propanoic acid
  • (2s)-2-amino-3-[(2-bromoacetyl)amino]propionic acid
InChIKey TXNAFLOXAUKSGT-VKHMYHEASA-N
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Elements H C O Br N