Molecule

ID:102703

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀N₂O₃
Molecular Mass
228.2881
Exact Mass
228.14739251
Charge
0
InChI
InChI=1S/C11H20N2O3/c1-3-7(2)9(11(15)16)13-10(14)8-5-4-6-12-8/h7-9,12H,3-6H2,1-2H3,(H,13,14)(H,15,16)/t7?,8-,9-/m0/s1
InChIKey
OCYROESYHWUPBP-NPPUSCPJSA-N
Canonic Smiles
CCC([C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1)C
Isomeric Smiles
CCC(C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9146464
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.7821702
LogD (pH = 7.4)
-1.7745897
Log P
-1.773835
Molar Refractivity
58.9583
Polarizability
23.549238
Polar Surface Area
78.43
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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