Molecule

ID:22290

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₃
Molecular Mass
173.2096
Exact Mass
173.10519335
Charge
0
InChI
InChI=1S/C8H15NO3/c1-8(2,3)12-7(11)9-4-6(10)5-9/h6,10H,4-5H2,1-3H3
InChIKey
XRRXRQJQQKMFBC-UHFFFAOYSA-N
Canonic Smiles
OC1CN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CC(C1)O)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.7471895
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.2884547
LogD (pH = 7.4)
0.28845468
Log P
0.2884547
Molar Refractivity
43.682
Polarizability
17.315302
Polar Surface Area
49.77
Rotatable Bonds
2
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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