Molecule

ID:69492

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂O₃
Molecular Mass
146.1445
Exact Mass
146.06914219
Charge
0
InChI
InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)
InChIKey
ZDXPYRJPNDTMRX-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CCC(C(=O)O)N
Isomeric Smiles
C(=O)(C(N)CCC(=O)N)O
Calculated Properties
JChem
LogD (pH = 7.4)
-4.01
LogD (pH = 5.5)
-4.00
Log P
-4.00
Rotatable Bonds
4
H Donor
3
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
2.15
Polar Surface Area
106.41
Polarizability
13.83
Molar Refractivity
33.11
LOG S
0.32
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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