Molecule
ID:119486
General Information
Molecular Formula
C₁₄H₂₄N₂O₅
Molecular Mass
300.35076
Exact Mass
300.16852188
Charge
0
InChI
InChI=1S/C14H24N2O5/c1-9(15-13(20)21-14(2,3)4)11(17)16-7-5-10(6-8-16)12(18)19/h9-10H,5-8H2,1-4H3,(H,15,20)(H,18,19)/t9-/m0/s1
InChIKey
RXGWFZRONUIXEH-VIFPVBQESA-N
Canonic Smiles
C[C@@H](C(=O)N1CCC(CC1)C(=O)O)NC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(C(=O)O)CC1)[C@@H](NC(=O)OC(C)(C)C)C
Calculated Properties
JChem
Acid pKa
4.0867386
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.79949826
LogD (pH = 7.4)
-2.480322
Log P
0.6269062
Molar Refractivity
75.3678
Polarizability
29.528759
Polar Surface Area
95.94
Rotatable Bonds
5
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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