Molecule

ID:106372

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃N₃O₆
Molecular Mass
329.34892
Exact Mass
329.15868547
Charge
0
InChI
InChI=1S/C14H23N3O6/c1-7(2)12(16-9(4)19)14(23)15-8(3)13(22)17-10(6-18)5-11(20)21/h6-8,10,12H,5H2,1-4H3,(H,15,23)(H,16,19)(H,17,22)(H,20,21)/t8-,10-,12-/m0/s1
InChIKey
BGFYQRSQECIBIB-PEXQALLHSA-N
Canonic Smiles
O=C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)C)C)CC(=O)O
Isomeric Smiles
CC(C)[C@H](NC(=O)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C=O
Calculated Properties
JChem
Acid pKa
3.899173
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-3.3523362
LogD (pH = 7.4)
-4.9598656
Log P
-1.7458357
Molar Refractivity
78.6415
Polarizability
30.942327
Polar Surface Area
141.67
Rotatable Bonds
9
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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