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ScientificNameLabel
N-Benzoyl-3-methylleucine
PHCD compound ID : 2468
Chemical Names :
N-Benzoyl-3-methylleucine
Molecular Formula : C14H19N1O3
Molecular Weight : 249.136493
More Details :
Names & Synonyms: 2-benzamido-3,4-dimethyl-pentanoic acid , 2-benzamido-3,4-dimethylpentanoic acid , 2-benzamido-3,4-dimethyl-valeric acid
Smiles: C[C@H]([C@H](C(=O)O)NC(=O)c1ccccc1)C(C)C
InChi : InChI=1S/C14H19NO3/c1-9(2)10(3)12(14(17)18)15-13(16)11-7-5-4-6-8-11/h4-10,12H,1-3H3,(H,15,16)(H,17,18)/t10-,12+/m0/s1
InChi Key : InChIKey=DXMOHOGHBITFKB-CMPLNLGQSA-N
PubChem ID : 569969
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.903748
Hydrogen bond donor count : 2 Electric dipole moment : 2.667
XLogP : 2.412 VDW volume : 251.628932
Molecular weight : 249.136493 HOMO-LUMO gap : 9.486000
Herb list :
Refrences & Litretures:
  
283.      Journal:'J. Bio. & Env. Sci'      Year:'2015'      Volume:'6'      Page:'187'      DOI:''      Title:'Identification of the volatile composition of Stachys lavandulifolia Vahl. and Salvia spinosa L. in Isfahan climatic conditions'
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