Structure Database (LMSD)

OH O NH 2
Common Name
DL-2-amino-octanoic acid
Systematic Name
2-amino-octanoic acid
Synonyms
LM ID
LMFA01100056
Formula
C8H17NO2
Exact Mass
Calculate m/z
159.125929
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)
AKVBCGQVQXPRLD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)
SMILES (Click to copy)
C(=O)(O)C(N)CCCCCC

References

Other Databases

HMDB ID
HMDB0000991
CHEBI ID
133660
PubChem CID
69522

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
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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Created at
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Updated at
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