Molecule

ID:16223

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O₃
Molecular Mass
214.26152
Exact Mass
214.13174245
Charge
0
InChI
InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-5-4-7(6-12)8(11)13/h7H,4-6H2,1-3H3,(H2,11,13)
InChIKey
NHDGOVOBEZPXMY-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1CCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
C1CN(CC1C(=O)N)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
16.288042
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.0678214
LogD (pH = 7.4)
0.06782141
Log P
0.06782141
Molar Refractivity
55.1376
Polarizability
21.589672
Polar Surface Area
72.63
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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