Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01060169
Common Name2-oxo-5-amino-pentanoic acid
Systematic Name2-oxo-5-amino-pentanoic acid
Synonyms5-Amino-2-oxopentanoic acid
Exact Mass
131.0582 (neutral)    Calculate m/z:
FormulaC5H9NO3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassOxo fatty acids [FA0106]
Alternative ClassesAmino fatty acids[FA0110]
PubChem CID439402
KEGG IDC01110
HMDB IDHMDB0006272
CHEBI ID49268
InChIKeyBWHGMFYTDQEALD-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C5H9NO3/c6-3-1-2-4(7)5(8)9/h1-3,6H2,(H,8,9)
SMILESC(=O)(CCCN)C(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms9Rings0Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
127.15Topological Polar
Surface Area
80.39Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP-0.34Molar
Refractivity
31.42