Molecule

ID:67220

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₅
Molecular Mass
231.24568
Exact Mass
231.11067265
Charge
0
InChI
InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-6-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKey
KVXXEKIGMOEPSA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1COCCN1C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(COCC1)C(=O)O)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.7903385
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.1497738
LogD (pH = 7.4)
-2.705039
Log P
0.56175375
Molar Refractivity
54.5929
Polarizability
21.685844
Polar Surface Area
76.07
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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