Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01100057
Common Name2,5-Diaminopentanoic acid
Systematic Name2,5-Diaminopentanoic acid
Synonyms-
Exact Mass
132.0899 (neutral)    Calculate m/z:
FormulaC5H12N2O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassAmino fatty acids [FA0110]
PubChem CID389
KEGG IDC01602
CHEBI ID18257
InChIKeyAHLPHDHHMVZTML-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)
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SMILES
C(C(N)CCCN)(=O)O
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms9Rings0Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
132.00Topological Polar
Surface Area
89.34Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
2
 logP-0.29Molar
Refractivity
34.90