Molecule

ID:102907

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂O₃
Molecular Mass
146.1445
Exact Mass
146.06914219
Charge
0
InChI
InChI=1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)
InChIKey
VYAMLSCELQQRAE-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)CN)CC(=O)O
Isomeric Smiles
CN(CC(=O)O)C(=O)CN
Calculated Properties
JChem
LogD (pH = 7.4)
-4.36
LogD (pH = 5.5)
-4.30
Log P
-4.29
Rotatable Bonds
3
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
3.66
Polar Surface Area
83.63
Polarizability
13.77
Molar Refractivity
33.70
LOG S
0.34
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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