Molecule

ID:103071

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)13-8(9(14)15)6-4-5-7-12/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)/t8-/m0/s1
InChIKey
DQUHYEDEGRNAFO-QMMMGPOBSA-N
Canonic Smiles
NCCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Isomeric Smiles
CC(C)(C)OC(=O)N[C@@H](CCCCN)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8931606
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.4898592
LogD (pH = 7.4)
-1.4818155
Log P
-1.4815985
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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