Molecule

ID:129355

General Information
Structure
Molecular Formula
C₁₁H₂₀N₂O₆
Molecular Mass
276.2863
Exact Mass
276.13213637
Charge
0
InChI
InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)
InChIKey
ZDGJAHTZVHVLOT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(C(=O)O)NCCCCC(C(=O)O)N
Isomeric Smiles
NC(CCCCNC(CCC(=O)O)C(=O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
1.4444536
H Acceptors
8
H Donor
5
LogD (pH = 5.5)
-6.389692
LogD (pH = 7.4)
-8.158041
Log P
-5.4074354
Molar Refractivity
63.953
Polarizability
25.778957
Polar Surface Area
149.95
Rotatable Bonds
11
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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