Molecule

ID:68037

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀N₂O₄
Molecular Mass
244.2875
Exact Mass
244.14230713
Charge
0
InChI
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-6-5-12-8(7-13)9(14)16-4/h8,12H,5-7H2,1-4H3/t8-/m1/s1
InChIKey
QUKAHFCVKNRRBU-MRVPVSSYSA-N
Canonic Smiles
COC(=O)[C@@H]1NCCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C[C@@H](NCC1)C(=O)OC)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.37674984
LogD (pH = 7.4)
0.39004767
Log P
0.39021987
Molar Refractivity
61.0429
Polarizability
24.525623
Polar Surface Area
67.87
Rotatable Bonds
4
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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