Structure Database (LMSD)
Common Name
N-butanoyl-l-homoserine lactone
Systematic Name
N-butanoyl-l-homoserine lactone
Synonyms
- N-Butyrylhomoserine lactone
- C4:0-HSL
3D model of N-butanoyl-l-homoserine lactone
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)
VFFNZZXXTGXBOG-LURJTMIESA-N
InChi (Click to copy)
InChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
SMILES (Click to copy)
[C@@H]1(CCOC1=O)NC(=O)CCC
References
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
1
Aromatic Rings
Rotatable Bonds
3
Van der Waals Molecular Volume
166.69
Topological Polar Surface Area
57.47
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
0.79
Molar Refractivity
43.42
Admin
Created at
-
Updated at
2nd Aug 2021