Molecule

ID:102480

General Information
Structure
Molecular Formula
C₆H₁₀N₂O₅
Molecular Mass
190.154
Exact Mass
190.05897143
Charge
0
InChI
InChI=1S/C6H10N2O5/c7-2-4(9)8-3(6(12)13)1-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m1/s1
InChIKey
SCCPDJAQCXWPTF-GSVOUGTGSA-N
Canonic Smiles
NCC(=O)N[C@@H](C(=O)O)CC(=O)O
Isomeric Smiles
NCC(=O)N[C@H](CC(=O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1682134
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-5.1491876
LogD (pH = 7.4)
-6.953223
Log P
-4.6670218
Molar Refractivity
39.3362
Polarizability
15.854732
Polar Surface Area
129.72
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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