Molecule

ID:31371

General Information
Structure
Molecular Formula
C₁₁H₁₉NO₅
Molecular Mass
245.27226
Exact Mass
245.12632271
Charge
0
InChI
InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-4-5-16-7-8(12)6-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKey
QVOPNRRQHPWQMF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1COCCN1C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1C(CC(=O)O)COCC1)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.354683
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.52696764
LogD (pH = 7.4)
-2.2759387
Log P
0.64657724
Molar Refractivity
59.2172
Polarizability
23.503712
Polar Surface Area
76.07
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
Molecule Details
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References
Bioactivity
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