Molecule

ID:2328

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄N₂O₄
Molecular Mass
284.35136
Exact Mass
284.17360726
Charge
0
InChI
InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12-,13+/m1/s1
InChIKey
NENPYTRHICXVCS-UPJWGTAASA-N
Canonic Smiles
CCC(O[C@@H]1C=C(C[C@H]([C@@H]1NC(=O)C)N)C(=O)O)CC
Isomeric Smiles
CCC(CC)O[C@@H]1C=C(C[C@@H](N)[C@@H]1NC(=O)C)C(=O)O
Calculated Properties
JChem
Acid pKa
4.377217
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.8612062
LogD (pH = 7.4)
-1.8401768
Log P
-1.8378457
Molar Refractivity
74.6857
Polarizability
29.524708
Polar Surface Area
101.65
Rotatable Bonds
6
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-1.33
LOG S
-1.96
Solubility (Water)
3.15e+00 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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