Molecule
ID:121318
General Information
Molecular Formula
C₈H₁₆N₂O₃
Molecular Mass
188.22424
Exact Mass
188.11609238
Charge
0
InChI
InChI=1S/C8H16N2O3/c1-5(2)9-8(12)10-6(3)7(11)13-4/h5-6H,1-4H3,(H2,9,10,12)/t6-/m0/s1
InChIKey
FNOAQVABUIHFIF-LURJTMIESA-N
Canonic Smiles
COC(=O)[C@@H](NC(=O)NC(C)C)C
Isomeric Smiles
C(=O)(N[C@H](C(=O)OC)C)NC(C)C
Calculated Properties
JChem
Acid pKa
14.767718
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.049542844
LogD (pH = 7.4)
0.04954284
Log P
0.049542855
Molar Refractivity
47.451
Polarizability
18.647123
Polar Surface Area
67.43
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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