Molecule

ID:102108

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃NO₄
Molecular Mass
281.34742
Exact Mass
281.16270822
Charge
0
InChI
InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1
InChIKey
YPHMISFOHDHNIV-FSZOTQKASA-N
Canonic Smiles
C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@@H](CC1CC(=NC(=O)C1)O)O
Isomeric Smiles
C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@@H](CC1CC(=NC(=O)C1)O)O
Calculated Properties
JChem
Acid pKa
7.701156
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.2695423
LogD (pH = 7.4)
1.0962808
Log P
1.2722659
Molar Refractivity
73.411
Polarizability
28.880642
Polar Surface Area
86.96
Rotatable Bonds
3
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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