Molecule

ID:70711

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂O₂
Molecular Mass
174.24072
Exact Mass
174.13682783
Charge
0
InChI
InChI=1S/C8H18N2O2/c1-6(9)5-10-7(11)12-8(2,3)4/h6H,5,9H2,1-4H3,(H,10,11)
InChIKey
UYNSYFDLTSSUNI-UHFFFAOYSA-N
Canonic Smiles
CC(CNC(=O)OC(C)(C)C)N
Isomeric Smiles
C(=O)(NCC(C)N)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.387548
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.4905949
LogD (pH = 7.4)
-1.4719446
Log P
0.48622975
Molar Refractivity
47.1604
Polarizability
18.901976
Polar Surface Area
64.35
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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