Molecule

ID:54261

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅NO₄
Molecular Mass
201.2197
Exact Mass
201.10010797
Charge
0
InChI
InChI=1S/C9H15NO4/c1-10-4-6(8(11)13-2)7(5-10)9(12)14-3/h6-7H,4-5H2,1-3H3/t6-,7+
InChIKey
PFWNGDGNDOSZPD-KNVOCYPGSA-N
Canonic Smiles
COC(=O)[C@@H]1CN(C[C@@H]1C(=O)OC)C
Isomeric Smiles
[C@H]1(C(=O)OC)[C@@H](C(=O)OC)CN(C1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-3.0970564
LogD (pH = 7.4)
-1.3270143
Log P
-0.354941
Molar Refractivity
49.2391
Polarizability
19.713743
Polar Surface Area
55.84
Rotatable Bonds
4
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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