Molecule

ID:59956

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉N₃O₃
Molecular Mass
229.27616
Exact Mass
229.14264148
Charge
0
InChI
InChI=1S/C10H19N3O3/c1-10(2,3)16-9(15)13-6-4-5-7(13)8(14)12-11/h7H,4-6,11H2,1-3H3,(H,12,14)/t7-/m0/s1
InChIKey
CEWGMUMFSVOZRT-ZETCQYMHSA-N
Canonic Smiles
NNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1[C@H](C(=O)NN)CCC1)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
12.625077
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.081699796
LogD (pH = 7.4)
0.08261925
Log P
0.08263335
Molar Refractivity
59.3657
Polarizability
23.024021
Polar Surface Area
84.66
Rotatable Bonds
3
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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