Molecule

ID:59

General Information
Structure
MolImage
Molecular Formula
C₄H₈N₂O₃
Molecular Mass
132.11792
Exact Mass
132.05349213
Charge
0
InChI
InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
InChIKey
DCXYFEDJOCDNAF-REOHCLBHSA-N
Canonic Smiles
NC(=O)C[C@@H](C(=O)O)N
Isomeric Smiles
OC(=O)[C@@H](N)CC(=O)N
Calculated Properties
JChem
LogD (pH = 7.4)
-4.32
LogD (pH = 5.5)
-4.29
Log P
-4.29
Rotatable Bonds
3
H Donor
3
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
2.00
Polar Surface Area
106.41
Polarizability
11.66
Molar Refractivity
28.35
LOG S
0.27
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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