Molecule

ID:69446

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃N₃O₆
Molecular Mass
293.31682
Exact Mass
293.15868547
Charge
0
InChI
InChI=1S/C6H14N2O2.C5H9NO4/c7-4-2-1-3-5(8)6(9)10;6-3(5(9)10)1-2-4(7)8/h5H,1-4,7-8H2,(H,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)/t5-;3-/m00/s1
InChIKey
HOMROMWVNDUGRI-RVZXSAGBSA-N
Canonic Smiles
OC(=O)CC[C@@H](C(=O)O)N.NCCCC[C@@H](C(=O)O)N
Isomeric Smiles
C(=O)([C@H](CCCCN)N)O.C(=O)([C@H](CCC(=O)O)N)O
Calculated Properties
JChem
Acid pKa
2.7382863
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-5.9555907
LogD (pH = 7.4)
-4.978252
Log P
-3.2145348
Molar Refractivity
37.8095
Polarizability
15.365045
Polar Surface Area
89.34
Rotatable Bonds
9
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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