Structure Database (LMSD)
Common Name
3-amino-octanoic acid
Systematic Name
3-amino-octanoic acid
Synonyms
- Octanoic acid, 3-amino-, (1)-
3D model of 3-amino-octanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
FYHHDJRMDOBZJF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H17NO2/c1-2-3-4-5-7(9)6-8(10)11/h7H,2-6,9H2,1H3,(H,10,11)
SMILES (Click to copy)
C(CC(N)CCCCC)(=O)O
References
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
Admin
Created at
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Updated at
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