Molecule

ID:62782

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O₅
Molecular Mass
272.2976
Exact Mass
272.13722175
Charge
0
InChI
InChI=1S/C12H20N2O5/c1-8(15)14-6-5-13(7-9(14)10(16)17)11(18)19-12(2,3)4/h9H,5-7H2,1-4H3,(H,16,17)
InChIKey
GIUAKIAAHXJHIS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CN(CCN1C(=O)C)C(=O)OC(C)(C)C
Isomeric Smiles
C1(N(C(=O)C)CCN(C(=O)OC(C)(C)C)C1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8519425
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.7977825
LogD (pH = 7.4)
-3.38349
Log P
-0.1457319
Molar Refractivity
65.8397
Polarizability
25.885607
Polar Surface Area
87.15
Rotatable Bonds
3
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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