Molecule

ID:21529

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₄
Molecular Mass
292.3303
Exact Mass
292.14230713
Charge
0
InChI
InChI=1S/C15H20N2O4/c1-2-21-12-5-3-11(4-6-12)10-17-8-7-16-15(20)13(17)9-14(18)19/h3-6,13H,2,7-10H2,1H3,(H,16,20)(H,18,19)
InChIKey
UFAPTAYBYWFFKM-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)CN1CCNC(=O)C1CC(=O)O
Isomeric Smiles
N1(C(C(=O)NCC1)CC(=O)O)Cc1ccc(cc1)OCC
Calculated Properties
JChem
Acid pKa
3.1757443
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.6873277
LogD (pH = 7.4)
-2.4043248
Log P
-1.6643863
Molar Refractivity
77.1763
Polarizability
30.125668
Polar Surface Area
78.87
Rotatable Bonds
6
Lipinski's Rule of Five
true
Provided by Chembridge
H Acceptors
5
H Donor
2
Log P
0.15
LOG S
-2.77
Polar Surface Area
78.87
Rotatable Bonds
6
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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