Molecule

ID:59296

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀N₂O₃
Molecular Mass
228.2881
Exact Mass
228.14739251
Charge
0
InChI
InChI=1S/C11H20N2O3/c1-8-7-12-9(14)5-6-13(8)10(15)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,14)
InChIKey
JGCIQHSEGIAOBO-UHFFFAOYSA-N
Canonic Smiles
O=C1NCC(N(CC1)C(=O)OC(C)(C)C)C
Isomeric Smiles
C1C(=O)NCC(N(C1)C(=O)OC(C)(C)C)C
Calculated Properties
JChem
Acid pKa
14.581381
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.4670941
LogD (pH = 7.4)
0.46709415
Log P
0.46709415
Molar Refractivity
59.6412
Polarizability
23.418682
Polar Surface Area
58.64
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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