Molecule

ID:120316

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂N₂O₃
Molecular Mass
242.31468
Exact Mass
242.16304257
Charge
0
InChI
InChI=1S/C12H22N2O3/c1-4-9(2)10(11(15)17-3)13-12(16)14-7-5-6-8-14/h9-10H,4-8H2,1-3H3,(H,13,16)/t9-,10+/m1/s1
InChIKey
HYPMZNNOHDVJTD-ZJUUUORDSA-N
Canonic Smiles
CC[C@H]([C@@H](C(=O)OC)NC(=O)N1CCCC1)C
Isomeric Smiles
C(=O)(N[C@H](C(=O)OC)[C@@H](CC)C)N1CCCC1
Calculated Properties
JChem
Acid pKa
14.951435
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2376972
LogD (pH = 7.4)
1.2376972
Log P
1.2376972
Molar Refractivity
64.3179
Polarizability
25.249878
Polar Surface Area
58.64
Rotatable Bonds
5
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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