Molecule

ID:4098

General Information
Structure
Molecular Formula
C₄H₈N₂O₄
Molecular Mass
148.11732
Exact Mass
148.04840675
Charge
0
InChI
InChI=1S/C4H8N2O4/c5-1(4(9)10)2(7)3(6)8/h1-2,7H,5H2,(H2,6,8)(H,9,10)/t1-,2-/m0/s1
InChIKey
VQTLPSCRBFYDNX-LWMBPPNESA-N
Canonic Smiles
OC(=O)[C@H]([C@@H](C(=O)N)O)N
Isomeric Smiles
N[C@@H]([C@H](O)C(=O)N)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-5.12
LogD (pH = 5.5)
-5.00
Log P
-5.00
Rotatable Bonds
3
H Donor
4
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
1.76
Polar Surface Area
126.64
Polarizability
12.50
Molar Refractivity
29.69
LOG S
0.20
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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