Molecule

ID:59941

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂O₄
Molecular Mass
246.30338
Exact Mass
246.15795719
Charge
0
InChI
InChI=1S/C11H22N2O4/c1-11(2,3)17-10(16)13-7-5-4-6-8(12)9(14)15/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)/t8-/m0/s1
InChIKey
VVQIIIAZJXTLRE-QMMMGPOBSA-N
Canonic Smiles
O=C(OC(C)(C)C)NCCCC[C@@H](C(=O)O)N
Isomeric Smiles
C(=O)(OC(C)(C)C)NCCCC[C@@H](C(=O)O)N
Calculated Properties
JChem
Acid pKa
1.9827216
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.4810357
LogD (pH = 7.4)
-1.4839467
Log P
-1.4810443
Molar Refractivity
62.6825
Polarizability
24.995522
Polar Surface Area
101.65
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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