Molecule

ID:39175

General Information
Structure
Molecular Formula
C₁₀H₁₉NO₅
Molecular Mass
233.26156
Exact Mass
233.12632271
Charge
0
InChI
InChI=1S/C10H19NO5/c1-5-6(12)7(8(13)14)11-9(15)16-10(2,3)4/h6-7,12H,5H2,1-4H3,(H,11,15)(H,13,14)
InChIKey
TZQRUGUIIVRFPY-UHFFFAOYSA-N
Canonic Smiles
CCC(C(C(=O)O)NC(=O)OC(C)(C)C)O
Isomeric Smiles
C(C(CC)O)(C(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.9349406
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.76646227
LogD (pH = 7.4)
-2.389616
Log P
0.8055735
Molar Refractivity
55.8568
Polarizability
22.32058
Polar Surface Area
95.86
Rotatable Bonds
6
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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