Molecule

ID:104614

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂O₄
Molecular Mass
162.1439
Exact Mass
162.06405681
Charge
0
InChI
InChI=1S/C5H10N2O4/c6-3(2-8)5(11)7-1-4(9)10/h3,8H,1-2,6H2,(H,7,11)(H,9,10)
InChIKey
WOUIMBGNEUWXQG-UHFFFAOYSA-N
Canonic Smiles
OCC(C(=O)NCC(=O)O)N
Isomeric Smiles
NC(CO)C(=O)NCC(=O)O
Calculated Properties
JChem
Acid pKa
3.439107
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-4.995361
LogD (pH = 7.4)
-5.114209
Log P
-4.9971623
Molar Refractivity
34.8445
Polarizability
14.025267
Polar Surface Area
112.65
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
References
Bioactivity
Navigation