Structure Database (LMSD)

OH O H 2 N
Common Name
9-amino-nonanoic acid
Systematic Name
9-amino-nonanoic acid
Synonyms
LM ID
LMFA01100010
Formula
C9H19NO2
Exact Mass
Calculate m/z
173.141579
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
VWPQCOZMXULHDM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H19NO2/c10-8-6-4-2-1-3-5-7-9(11)12/h1-8,10H2,(H,11,12)
SMILES (Click to copy)
C(CCCCCCCCN)(=O)O

References

Other Databases

LIPIDAT ID
2310
CHEBI ID
73740
PubChem CID
136877

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 190.20
Topological Polar Surface Area 63.32
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 2.05
Molar Refractivity 49.50

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Updated at
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