Molecule

ID:136554

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃N₃O₃
Molecular Mass
175.18572
Exact Mass
175.09569129
Charge
0
InChI
InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1
InChIKey
RHGKLRLOHDJJDR-BYPYZUCNSA-N
Canonic Smiles
NC(=O)NCCC[C@@H](C(=O)O)N
Isomeric Smiles
C(CC[C@@H](C(=O)O)N)NC(=O)N
Calculated Properties
JChem
Acid pKa
2.2682476
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-3.9319353
LogD (pH = 7.4)
-3.9377463
Log P
-3.9319577
Molar Refractivity
41.329
Polarizability
16.298895
Polar Surface Area
118.44
Rotatable Bonds
5
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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