Molecule

ID:125417

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₂O₅
Molecular Mass
232.23374
Exact Mass
232.10592162
Charge
0
InChI
InChI=1S/C9H16N2O5/c10-6(9(15)16)3-4-7(12)11-5-1-2-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1
InChIKey
MKYPKZSGLSOGLL-LURJTMIESA-N
Canonic Smiles
O=C(CC[C@@H](C(=O)O)N)NCCCC(=O)O
Isomeric Smiles
N[C@@H](CCC(=O)NCCCC(=O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
2.2953777
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-4.9325027
LogD (pH = 7.4)
-6.6891184
Log P
-3.852556
Molar Refractivity
53.5456
Polarizability
21.264698
Polar Surface Area
129.72
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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