Structure database (LMSD)

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LM IDLMFA01100052
Common Name2,4-diamino-butyric acid
Systematic Name2,4-diamino-butanoic acid
Synonyms-
Exact Mass
118.0742 (neutral)    Calculate m/z:
FormulaC4H10N2O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassAmino fatty acids [FA0110]
PubChem CID470
HMDB IDHMDB0002362
CHEBI ID64307
InChIKeyOGNSCSPNOLGXSM-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)
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SMILES
C(=O)(O)C(N)CCN
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms8Rings0Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
114.70Topological Polar
Surface Area
89.34Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
2
 logP-0.68Molar
Refractivity
30.28