Molecule

ID:70411

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂N₂O₄
Molecular Mass
258.31408
Exact Mass
258.15795719
Charge
0
InChI
InChI=1S/C12H22N2O4/c1-5-17-10(15)8-6-14(7-9(8)13)11(16)18-12(2,3)4/h8-9H,5-7,13H2,1-4H3/t8-,9-/m1/s1
InChIKey
AIZZFYPYPULRFL-RKDXNWHRSA-N
Canonic Smiles
CCOC(=O)[C@@H]1CN(C[C@H]1N)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C[C@H]([C@@H](C1)N)C(=O)OCC)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.3581645
LogD (pH = 7.4)
-0.7662345
Log P
0.3515881
Molar Refractivity
65.6981
Polarizability
26.354218
Polar Surface Area
81.86
Rotatable Bonds
5
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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