Molecule

ID:120319

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂N₂O₄
Molecular Mass
258.31408
Exact Mass
258.15795719
Charge
0
InChI
InChI=1S/C12H22N2O4/c1-4-9(2)10(11(15)17-3)13-12(16)14-5-7-18-8-6-14/h9-10H,4-8H2,1-3H3,(H,13,16)/t9-,10+/m1/s1
InChIKey
GQZIMDKFUGFLJD-ZJUUUORDSA-N
Canonic Smiles
CC[C@H]([C@@H](C(=O)OC)NC(=O)N1CCOCC1)C
Isomeric Smiles
C(=O)(N[C@H](C(=O)OC)[C@@H](CC)C)N1CCOCC1
Calculated Properties
JChem
Acid pKa
14.790506
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6133993
LogD (pH = 7.4)
0.6133994
Log P
0.6133994
Molar Refractivity
65.8514
Polarizability
25.98241
Polar Surface Area
67.87
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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