Molecule

ID:59963

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₃
Molecular Mass
264.3202
Exact Mass
264.14739251
Charge
0
InChI
InChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)16-11(12(15)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H2,15,17)(H,16,18)/t11-/m0/s1
InChIKey
DHUPSFPAFRFQRO-NSHDSACASA-N
Canonic Smiles
NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N[C@H](C(=O)N)Cc1ccccc1)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
13.6758995
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.7627698
LogD (pH = 7.4)
1.7627696
Log P
1.7627698
Molar Refractivity
71.8115
Polarizability
28.178907
Polar Surface Area
81.42
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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