Molecule

ID:14828

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₄
Molecular Mass
228.24504
Exact Mass
228.111007
Charge
0
InChI
InChI=1S/C10H16N2O4/c1-10(2)9(16)11-5-6-12(10)7(13)3-4-8(14)15/h3-6H2,1-2H3,(H,11,16)(H,14,15)
InChIKey
WECARCQDMIODCT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(=O)N1CCNC(=O)C1(C)C
Isomeric Smiles
N1(C(C(=O)NCC1)(C)C)C(=O)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.334206
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.22595
LogD (pH = 7.4)
-3.9711795
Log P
-1.0333515
Molar Refractivity
55.1943
Polarizability
21.493929
Polar Surface Area
86.71
Rotatable Bonds
3
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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