Structure Database (LMSD)
Common Name
Methyl DL-Leucate
Systematic Name
methyl 2-hydroxy-4-methylpentanoate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Methyl DL-Leucate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
JOSNYUDSMPILKL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14O3/c1-5(2)4-6(8)7(9)10-3/h5-6,8H,4H2,1-3H3
SMILES (Click to copy)
CC(C)CC(C(OC)=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
153.39
Topological Polar Surface Area
46.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
0.85
Molar Refractivity
37.99
Admin
Created at
-
Updated at
6th Jun 2022