Molecule
ID:119487
General Information
Molecular Formula
C₁₆H₂₈N₂O₅
Molecular Mass
328.40392
Exact Mass
328.19982201
Charge
0
InChI
InChI=1S/C16H28N2O5/c1-10(2)12(17-15(22)23-16(3,4)5)13(19)18-8-6-11(7-9-18)14(20)21/h10-12H,6-9H2,1-5H3,(H,17,22)(H,20,21)/t12-/m0/s1
InChIKey
ABGIJKGAEWEICX-LBPRGKRZSA-N
Canonic Smiles
CC([C@@H](C(=O)N1CCC(CC1)C(=O)O)NC(=O)OC(C)(C)C)C
Isomeric Smiles
C(=O)(N1CCC(C(=O)O)CC1)[C@@H](NC(=O)OC(C)(C)C)C(C)C
Calculated Properties
JChem
Acid pKa
4.2381935
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.23179375
LogD (pH = 7.4)
-1.4927077
Log P
1.5144014
Molar Refractivity
84.3634
Polarizability
33.18107
Polar Surface Area
95.94
Rotatable Bonds
6
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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