Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01100046
Common Name2-Amino-3-methylbutanoic acid
Systematic Name2-Amino-3-methylbutanoic acid
Synonyms-
Exact Mass
117.0790 (neutral)    Calculate m/z:
FormulaC5H11NO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassAmino fatty acids [FA0110]
Alternative ClassesBranched fatty acids[FA0102]
PubChem CID1182
InChIKeyKZSNJWFQEVHDMF-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)
SMILESC(C(N)C(C)C)(=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms8Rings0Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
121.00Topological Polar
Surface Area
63.32Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP0.34Molar
Refractivity
30.96