Molecule

ID:59954

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃N₃O₃
Molecular Mass
245.31862
Exact Mass
245.17394161
Charge
0
InChI
InChI=1S/C11H23N3O3/c1-7(2)6-8(9(15)14-12)13-10(16)17-11(3,4)5/h7-8H,6,12H2,1-5H3,(H,13,16)(H,14,15)/t8-/m0/s1
InChIKey
UVOMXPFPSGGLIU-QMMMGPOBSA-N
Canonic Smiles
NNC(=O)[C@@H](NC(=O)OC(C)(C)C)CC(C)C
Isomeric Smiles
C(=O)(N[C@H](C(=O)NN)CC(C)C)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
12.786764
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.0631436
LogD (pH = 7.4)
1.0640645
Log P
1.064078
Molar Refractivity
65.3502
Polarizability
25.567127
Polar Surface Area
93.45
Rotatable Bonds
6
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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