Molecule

ID:85065

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂O₃
Molecular Mass
146.1445
Exact Mass
146.06914219
Charge
0
InChI
InChI=1S/C5H10N2O3/c1-3(5(9)10)7-4(8)2-6/h3H,2,6H2,1H3,(H,7,8)(H,9,10)
InChIKey
VPZXBVLAVMBEQI-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)O)NC(=O)CN
Isomeric Smiles
N(C(C(=O)O)C)C(=O)CN
Calculated Properties
JChem
Acid pKa
3.6136515
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.9498086
LogD (pH = 7.4)
-4.012713
Log P
-3.9486609
Molar Refractivity
33.3008
Polarizability
13.317601
Polar Surface Area
92.42
Rotatable Bonds
3
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
No Data Available
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Molecule Details
References
Bioactivity
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