Molecule
ID:119418
General Information
Molecular Formula
C₁₆H₂₆N₂O₅
Molecular Mass
326.38804
Exact Mass
326.18417194
Charge
0
InChI
InChI=1S/C16H26N2O5/c1-16(2,3)23-15(22)18-8-4-5-12(18)13(19)17-9-6-11(7-10-17)14(20)21/h11-12H,4-10H2,1-3H3,(H,20,21)/t12-/m1/s1
InChIKey
RDAQBVAZAMAEFV-GFCCVEGCSA-N
Canonic Smiles
OC(=O)C1CCN(CC1)C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CCC(C(=O)O)CC2)CCC1
Calculated Properties
JChem
Acid pKa
4.1171374
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.497826
LogD (pH = 7.4)
-2.1885161
Log P
0.89957184
Molar Refractivity
83.0569
Polarizability
32.4702
Polar Surface Area
87.15
Rotatable Bonds
4
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
No Data Available
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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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