Molecule

ID:59277

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O₃
Molecular Mass
226.27222
Exact Mass
226.13174245
Charge
0
InChI
InChI=1S/C11H18N2O3/c1-10(2,3)16-9(15)13-6-8(14)12-11(7-13)4-5-11/h4-7H2,1-3H3,(H,12,14)
InChIKey
SRXIYVLXAASOHA-UHFFFAOYSA-N
Canonic Smiles
O=C1CN(CC2(N1)CC2)C(=O)OC(C)(C)C
Isomeric Smiles
C1C2(C1)CN(CC(=O)N2)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
12.922327
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.20283964
LogD (pH = 7.4)
0.2028385
Log P
0.20283966
Molar Refractivity
57.6238
Polarizability
22.705963
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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