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
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
Other Databases
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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