Molecule

ID:38160

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)12-6-4-8(13)11-5-7-12/h4-7H2,1-3H3,(H,11,13)
InChIKey
GLJYPTWEXBUATJ-UHFFFAOYSA-N
Canonic Smiles
O=C1NCCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C1NC(=O)CCN(C1)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.525986
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.050519127
LogD (pH = 7.4)
0.050519112
Log P
0.05051914
Molar Refractivity
55.2224
Polarizability
21.589672
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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