Molecule

ID:39167

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₅NO₅
Molecular Mass
275.3413
Exact Mass
275.17327291
Charge
0
InChI
InChI=1S/C13H25NO5/c1-8(2)6-9(10(15)7-11(16)17)14-12(18)19-13(3,4)5/h8-10,15H,6-7H2,1-5H3,(H,14,18)(H,16,17)/t9-,10-/m0/s1
InChIKey
KJIQRHBVNGRPCO-UWVGGRQHSA-N
Canonic Smiles
O[C@H]([C@@H](NC(=O)OC(C)(C)C)CC(C)C)CC(=O)O
Isomeric Smiles
C([C@@H]([C@H](CC(C)C)NC(=O)OC(C)(C)C)O)C(=O)O
Calculated Properties
JChem
Acid pKa
4.589537
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.6622254
LogD (pH = 7.4)
-1.1132438
Log P
1.6219848
Molar Refractivity
69.6307
Polarizability
27.790068
Polar Surface Area
95.86
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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