Molecule

ID:39482

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O₄
Molecular Mass
230.26092
Exact Mass
230.12665707
Charge
0
InChI
InChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-5-4-11-7(6-12)8(13)14/h7,11H,4-6H2,1-3H3,(H,13,14)
InChIKey
YRYAXQJXMBETAT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1NCCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
C1CN(CC(N1)C(=O)O)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
1.7739666
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.2019575
LogD (pH = 7.4)
-2.3220618
Log P
-2.200861
Molar Refractivity
56.2738
Polarizability
22.460443
Polar Surface Area
78.87
Rotatable Bonds
3
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
References
Bioactivity
Navigation