Molecule

ID:75839

General Information
Structure
MolImage
Molecular Formula
C₄H₉N₃O₃
Molecular Mass
147.13256
Exact Mass
147.06439116
Charge
0
InChI
InChI=1S/C4H9N3O3/c5-2(3(8)9)1-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10)/t2-/m1/s1
InChIKey
GZYFIMLSHBLMKF-UWTATZPHSA-N
Canonic Smiles
NC(=O)NC[C@H](C(=O)O)N
Isomeric Smiles
OC(=O)[C@H](N)CNC(=O)N
Calculated Properties
JChem
Acid pKa
2.0316815
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-4.5078354
LogD (pH = 7.4)
-4.538577
Log P
-4.5078206
Molar Refractivity
31.819
Polarizability
12.684027
Polar Surface Area
118.44
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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