Molecule

ID:54941

General Information
Structure
Molecular Formula
C₈H₁₆N₂O₂
Molecular Mass
172.22484
Exact Mass
172.12117776
Charge
0
InChI
InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-4-6(9)5-10/h6H,4-5,9H2,1-3H3
InChIKey
WPGLRFGDZJSQGI-UHFFFAOYSA-N
Canonic Smiles
NC1CN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
C1C(CN1C(=O)OC(C)(C)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6507394
LogD (pH = 7.4)
-1.1908826
Log P
0.1815729
Molar Refractivity
45.3395
Polarizability
18.182564
Polar Surface Area
55.56
Rotatable Bonds
2
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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