Molecule

ID:69706

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)12-6-4-5-7(12)8(11)13/h7H,4-6H2,1-3H3,(H2,11,13)/t7-/m1/s1
InChIKey
PITJAAIPVBVRAO-SSDOTTSWSA-N
Canonic Smiles
NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C
Isomeric Smiles
N1([C@H](CCC1)C(=O)N)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
16.045723
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.37910903
LogD (pH = 7.4)
0.37910903
Log P
0.37910903
Molar Refractivity
54.8816
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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