Molecule

ID:14829

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O₄
Molecular Mass
242.27162
Exact Mass
242.12665707
Charge
0
InChI
InChI=1S/C11H18N2O4/c1-11(2)10(17)12-6-7-13(11)8(14)4-3-5-9(15)16/h3-7H2,1-2H3,(H,12,17)(H,15,16)
InChIKey
GKZGUBQOEKQCMB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCC(=O)N1CCNC(=O)C1(C)C
Isomeric Smiles
N1(C(C(=O)NCC1)(C)C)C(=O)CCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.4141893
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.7072921
LogD (pH = 7.4)
-3.465809
Log P
-0.58878285
Molar Refractivity
59.7953
Polarizability
23.313251
Polar Surface Area
86.71
Rotatable Bonds
4
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
Molecule Details
References
Bioactivity
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