2-(aminomethyl)-butyric acid

ScientificNameLabel

2-(aminomethyl)-butyric acid
PHCD compound ID :	4381
Chemical Names :	2-(aminomethyl)-butyric acid
Molecular Formula :	C5H11N1O2
Molecular Weight :	117.078979

More Details :

Names & Synonyms:	2-(aminomethyl)butanoic acid , 2-(aminomethyl)butyric acid
Smiles:	CC[C@H](C(=O)O)CN
InChi :	InChI=1S/C5H11NO2/c1-2-4(3-6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChi Key :	InChIKey=HBICVCPHTYGKKD-BYPYZUCNSA-N
PubChem ID :	14039786

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	3	Ionization potential :	9.824525
Hydrogen bond donor count :	2	Electric dipole moment :	2.720
XLogP :	-0.164	VDW volume :	120.977137
Molecular weight :	117.078979	HOMO-LUMO gap :	10.606000

Herb list :

Cow-parsnip - Heracleum persicum - گلپر

Refrences & Litretures:


650. Journal:'Span J Agric Res' Year:'2014' Volume:'12' Page:'1166' DOI:'10.5424/sjar/2014124-6527' Title:'Chemical composition and bio-pesticidal values of essential oil isolated from the seed of Heracleum persicum Desf. ex Fischer (Apiaceae)'

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