Molecule

ID:90699

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₆N₂O₃
Molecular Mass
270.36784
Exact Mass
270.1943427
Charge
0
InChI
InChI=1S/C14H26N2O3/c1-10(2)12(17)15-11-7-6-8-16(9-11)13(18)19-14(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,17)/t11-/m0/s1
InChIKey
DNFOKHIIJKALAW-NSHDSACASA-N
Canonic Smiles
O=C(C(C)C)N[C@H]1CCCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CCC[C@@H](C1)NC(=O)C(C)C)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.799924
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8212628
LogD (pH = 7.4)
1.821264
Log P
1.821264
Molar Refractivity
73.4947
Polarizability
28.917408
Polar Surface Area
58.64
Rotatable Bonds
4
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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