Structure Database (LMSD)

Common Name
8-aminocaprylic acid
Systematic Name
8-aminocaprylic acid
Synonyms
LM ID
LMFA01100059
Formula
C8H17NO2
Exact Mass
Calculate m/z
159.125929
Status
Active
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)
UQXNEWQGGVUVQA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11)
SMILES (Click to copy)
OC(CCCCCCCN)=O

Other Databases

CHEBI ID
143265
PubChem CID
66085
PDB ID
8AC

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 172.90
Topological Polar Surface Area 63.32
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 1.66
Molar Refractivity 44.88

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Updated at
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