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ScientificNameLabel
Alpha-Aminobutyric acid
PHCD compound ID : 5035
Chemical Names :
Alpha-Aminobutyric acid
Molecular Formula : C4H9N1O2
Molecular Weight : 103.063329
More Details :
Names & Synonyms: 2-aminobutanoic acid , 2-azanylbutanoic acid , 2-aminobutyric acid
Smiles: CC[C@@H](C(=O)O)N
InChi : InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChi Key : InChIKey=QWCKQJZIFLGMSD-VKHMYHEASA-N
PubChem ID : 6657
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.906771
Hydrogen bond donor count : 2 Electric dipole moment : 1.311
XLogP : -2.466 VDW volume : 103.681152
Molecular weight : 103.063329 HOMO-LUMO gap : 10.583000
Herb list :
Refrences & Litretures:
  
785.      Journal:'J. Agric. Food Chem'      Year:'1967'      Volume:'15'      Page:'1040'      DOI:'10.1021/jf60154a024'      Title:'Mushroom ninhydrin-positive compounds. Amino acids, related compounds, and other nitrogenous substances found in cultivated mushroom, Agaricus campestris'
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