Structure database (LMSD)

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LM IDLMFA01100019
Common Name3R-aminononanoic acid
Systematic Name3R-aminononanoic acid
SynonymsNonanoic acid, 3-amino-, (R)-
Exact Mass
173.1416 (neutral)    Calculate m/z:
FormulaC9H19NO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassAmino fatty acids [FA0110]
LIPIDAT ID2309
PubChem CID2195180
InChIKeyJSJXIPXCQNHXJA-MRVPVSSYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C9H19NO2/c1-2-3-4-5-6-8(10)7-9(11)12/h8H,2-7,10H2,1H3,(H,11,12)/t8-/m1/s1
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SMILES
C(C[C@H](N)CCCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings0Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
190.20Topological Polar
Surface Area
63.32Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP2.05Molar
Refractivity
49.50