Molecule

ID:113043

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₃NO₅
Molecular Mass
273.32542
Exact Mass
273.15762284
Charge
0
InChI
InChI=1S/C13H23NO5/c1-9(11(15)16)18-10-5-7-14(8-6-10)12(17)19-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,16)/t9-/m1/s1
InChIKey
YHKRUDZVAIDLNI-SECBINFHSA-N
Canonic Smiles
OC(=O)[C@H](OC1CCN(CC1)C(=O)OC(C)(C)C)C
Isomeric Smiles
C(=O)(N1CCC(O[C@@H](C(=O)O)C)CC1)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.6334505
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.76483005
LogD (pH = 7.4)
-2.2328236
Log P
1.0982482
Molar Refractivity
68.7425
Polarizability
27.148909
Polar Surface Area
76.07
Rotatable Bonds
5
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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