Structure database (LMSD)

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LM IDLMFA01100056
Common NameDL-2-amino-octanoic acid
Systematic Name2-amino-octanoic acid
Synonyms-
Exact Mass
159.1259 (neutral)    Calculate m/z:
FormulaC8H17NO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassAmino fatty acids [FA0110]
PubChem CID69522
HMDB IDHMDB0000991
CHEBI ID133660
InChIKeyAKVBCGQVQXPRLD-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)
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SMILES
C(=O)(O)C(N)CCCCCC
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings0Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
172.90Topological Polar
Surface Area
63.32Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP1.66Molar
Refractivity
44.88