Molecule

ID:130824

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂O₄
Molecular Mass
206.23952
Exact Mass
206.12665707
Charge
0
InChI
InChI=1S/C6H14N2O2.C2H4O2/c7-4-2-1-3-5(8)6(9)10;1-2(3)4/h5H,1-4,7-8H2,(H,9,10);1H3,(H,3,4)/t5-;/m0./s1
InChIKey
RRNJROHIFSLGRA-JEDNCBNOSA-N
Canonic Smiles
CC(=O)O.NCCCC[C@@H](C(=O)O)N
Isomeric Smiles
CC(=O)O.C(CCN)C[C@@H](C(=O)O)N
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
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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