Molecule

ID:37565

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO₅
Molecular Mass
193.1977
Exact Mass
193.09502259
Charge
0
InChI
InChI=1S/C5H13NO.C2H2O4/c1-5(2,4-6)7-3;3-1(4)2(5)6/h4,6H2,1-3H3;(H,3,4)(H,5,6)
InChIKey
WOQGGTNTCYLBLO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)O.NCC(OC)(C)C
Isomeric Smiles
CC(CN)(C)OC.C(=O)(C(=O)O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9685152
LogD (pH = 7.4)
-2.0745409
Log P
0.02471732
Molar Refractivity
30.0193
Polarizability
12.157154
Polar Surface Area
35.25
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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