Molecule

ID:52615

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂O₃
Molecular Mass
216.2774
Exact Mass
216.14739251
Charge
0
InChI
InChI=1S/C10H20N2O3/c1-9(2,3)15-8(14)12-5-4-10(11,6-12)7-13/h13H,4-7,11H2,1-3H3
InChIKey
BAMSJMDJDXMZDC-UHFFFAOYSA-N
Canonic Smiles
OCC1(N)CCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
C1CN(CC1(CO)N)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.74185
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.4447324
LogD (pH = 7.4)
-2.1750288
Log P
-0.52480066
Molar Refractivity
56.3868
Polarizability
22.50289
Polar Surface Area
75.79
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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