Structure database (LMSD)

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LM IDLMFA01100011
Common Name3S-aminodecanoic acid
Systematic Name3S-aminodecanoic acid
SynonymsDecanoic acid, 3-amino-, (S)-
Exact Mass
187.1572 (neutral)    Calculate m/z:
FormulaC10H21NO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassAmino fatty acids [FA0110]
LIPIDAT ID2288
PubChem CID5312962
InChIKeySSKFRIVYCVHCQK-VIFPVBQESA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H21NO2/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9H,2-8,11H2,1H3,(H,12,13)/t9-/m0/s1
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SMILES
C(C[C@@H](N)CCCCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
207.50Topological Polar
Surface Area
63.32Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP2.44Molar
Refractivity
54.12