Molecule

ID:62164

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₅N₃O₃
Molecular Mass
283.3666
Exact Mass
283.18959168
Charge
0
InChI
InChI=1S/C14H25N3O3/c1-10(18)16-14-8-15-6-5-11(14)7-17(9-14)12(19)20-13(2,3)4/h11,15H,5-9H2,1-4H3,(H,16,18)/t11-,14-/m0/s1
InChIKey
KDDFIWOLMJSELR-FZMZJTMJSA-N
Canonic Smiles
CC(=O)N[C@@]12CNCC[C@H]2CN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)C[C@@]2([C@H](C1)CCNC2)NC(=O)C
Calculated Properties
JChem
Acid pKa
14.139907
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.5319643
LogD (pH = 7.4)
-2.3635666
Log P
-0.37446478
Molar Refractivity
74.9475
Polarizability
29.728222
Polar Surface Area
70.67
Rotatable Bonds
3
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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