Molecule

ID:109314

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂O₄
Molecular Mass
162.1439
Exact Mass
162.06405681
Charge
0
InChI
InChI=1S/C5H10N2O4/c6-1-4(9)7-3(2-8)5(10)11/h3,8H,1-2,6H2,(H,7,9)(H,10,11)/t3-/m1/s1
InChIKey
BCCRXDTUTZHDEU-GSVOUGTGSA-N
Canonic Smiles
OC[C@H](C(=O)O)NC(=O)CN
Isomeric Smiles
NCC(=O)N[C@H](CO)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-5.06
LogD (pH = 5.5)
-5.00
Log P
-5.00
Rotatable Bonds
4
H Donor
4
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
3.36
Polar Surface Area
112.65
Polarizability
14.71
Molar Refractivity
34.84
LOG S
0.24
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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