Structure Database (LMSD)

Common Name
9-amino-decanoic acid
Systematic Name
9-amino-decanoic acid
Synonyms
  • Decanoic acid, 9-amino-, (1)-
LM ID
LMFA01100012
Formula
C10H21NO2
Exact Mass
Calculate m/z
187.157229
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Amino fatty acids [FA0110]

String Representations

InChiKey (Click to copy)
FWPKWVUFQDXPBW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H21NO2/c1-9(11)7-5-3-2-4-6-8-10(12)13/h9H,2-8,11H2,1H3,(H,12,13)
SMILES (Click to copy)
C(CCCCCCCC(N)C)(=O)O

Other Databases

LIPIDAT ID
2289
CHEBI ID
137770
PubChem CID
5312963

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 207.50
Topological Polar Surface Area 63.32
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 2.44
Molar Refractivity 54.12

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Created at
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Updated at
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