Molecule

ID:64689

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂O₃
Molecular Mass
216.2774
Exact Mass
216.14739251
Charge
0
InChI
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-11-8(6-12)7-13/h8,11,13H,4-7H2,1-3H3/t8-/m0/s1
InChIKey
NSILYQWHARROMG-QMMMGPOBSA-N
Canonic Smiles
OC[C@H]1NCCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1C[C@H](NCC1)CO)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.078465
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.8545258
LogD (pH = 7.4)
-0.32372928
Log P
-0.075948715
Molar Refractivity
56.4064
Polarizability
22.50289
Polar Surface Area
61.8
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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