Molecule
ID:90832
General Information
Molecular Formula
C₁₅H₂₇N₃O₄
Molecular Mass
313.39258
Exact Mass
313.20015636
Charge
0
InChI
InChI=1S/C15H27N3O4/c1-15(2,3)22-14(20)18-6-4-5-12(11-18)16-13(19)17-7-9-21-10-8-17/h12H,4-11H2,1-3H3,(H,16,19)/t12-/m0/s1
InChIKey
ZQHZKNDDTPUHRE-LBPRGKRZSA-N
Canonic Smiles
O=C(N1CCC[C@@H](C1)NC(=O)N1CCOCC1)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)C[C@@H](NC(=O)N2CCOCC2)CCC1
Calculated Properties
JChem
Acid pKa
15.164416
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.47304797
LogD (pH = 7.4)
0.47304806
Log P
0.47304806
Molar Refractivity
81.8379
Polarizability
31.91298
Polar Surface Area
71.11
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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