Molecule

ID:16776

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂O₄
Molecular Mass
214.21846
Exact Mass
214.09535694
Charge
0
InChI
InChI=1S/C9H14N2O4/c1-9(2)7(14)11(8(15)10-9)5-3-4-6(12)13/h3-5H2,1-2H3,(H,10,15)(H,12,13)
InChIKey
JDLQGFILKCTFKI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCN1C(=O)NC(C1=O)(C)C
Isomeric Smiles
N1(C(=O)NC(C1=O)(C)C)CCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.2567677
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.486472
LogD (pH = 7.4)
-3.215423
Log P
-0.22135702
Molar Refractivity
50.689
Polarizability
19.678495
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation