Molecule

ID:136994

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀N₂O₄
Molecular Mass
151.1266089
Exact Mass
151.0610917
Charge
0
InChI
InChI=1S/C4H8N2O3.H2O/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H2/t2-;/m0./s1/i5+1;
InChIKey
RBMGJIZCEWRQES-USBYOXAQSA-N
Canonic Smiles
NC(=O)C[C@@H](C(=O)O)[15NH2].O
Isomeric Smiles
C([C@@H](C(=O)O)[15NH2])C(=O)N.O
Calculated Properties
JChem
Acid pKa
1.9985425
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-4.2879124
LogD (pH = 7.4)
-4.3236184
Log P
-4.287831
Molar Refractivity
28.3549
Polarizability
11.510928
Polar Surface Area
106.41
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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