Structure database (LMSD)

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LM IDLMFA01100020
Common Name3-amino-octanoic acid
Systematic Name3-amino-octanoic acid
SynonymsOctanoic acid, 3-amino-, (1)-
Exact Mass
159.1259 (neutral)    Calculate m/z:
FormulaC8H17NO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassAmino fatty acids [FA0110]
LIPIDAT ID2324
PubChem CID295606
CHEBI ID73739
InChIKeyFYHHDJRMDOBZJF-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C8H17NO2/c1-2-3-4-5-7(9)6-8(10)11/h7H,2-6,9H2,1H3,(H,10,11)
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SMILES
C(CC(N)CCCCC)(=O)O
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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