Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01100053
Common Name2-amino-isobutyric acid
Systematic Name2-amino-2-methyl-propanoic acid
Synonyms-
Exact Mass
103.0633 (neutral)    Calculate m/z:
FormulaC4H9NO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassAmino fatty acids [FA0110]
Alternative ClassesBranched fatty acids[FA0102]
PubChem CID6119
HMDB IDHMDB0001906
InChIKeyFUOOLUPWFVMBKG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)
SMILESC(=O)(O)C(N)(C)C
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms7Rings0Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
103.70Topological Polar
Surface Area
63.32Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP0.09Molar
Refractivity
26.41