Molecule

ID:3863

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₂O₅
Molecular Mass
176.12742
Exact Mass
176.04332137
Charge
0
InChI
InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)/t2-/m0/s1
InChIKey
HLKXYZVTANABHZ-REOHCLBHSA-N
Canonic Smiles
OC(=O)C[C@@H](C(=O)O)NC(=O)N
Isomeric Smiles
NC(=O)N[C@@H](CC(=O)O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-7.29
LogD (pH = 5.5)
-4.33
Log P
-1.74
Rotatable Bonds
4
H Donor
4
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
3.33
Polar Surface Area
129.72
Polarizability
14.61
Molar Refractivity
34.65
LOG S
-0.07
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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