Molecule

ID:120315

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄N₂O₃
Molecular Mass
244.33056
Exact Mass
244.17869264
Charge
0
InChI
InChI=1S/C12H24N2O3/c1-6-9(4)10(11(15)17-5)14-12(16)13-7-8(2)3/h8-10H,6-7H2,1-5H3,(H2,13,14,16)/t9-,10+/m1/s1
InChIKey
KLPMXYNKWISGBG-ZJUUUORDSA-N
Canonic Smiles
CC[C@H]([C@@H](C(=O)OC)NC(=O)NCC(C)C)C
Isomeric Smiles
C(=O)(N[C@H](C(=O)OC)[C@@H](CC)C)NCC(C)C
Calculated Properties
JChem
Acid pKa
15.025851
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.8525268
LogD (pH = 7.4)
1.8525269
Log P
1.8525269
Molar Refractivity
65.6244
Polarizability
25.967047
Polar Surface Area
67.43
Rotatable Bonds
7
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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