Molecule

ID:132002

General Information
Structure
Molecular Formula
C₆H₁₀N₂O₄
Molecular Mass
174.1546
Exact Mass
174.06405681
Charge
0
InChI
InChI=1S/C6H10N2O4/c1-3(9)8-4(6(11)12)2-5(7)10/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12)/t4-/m1/s1
InChIKey
HXFOXFJUNFFYMO-SCSAIBSYSA-N
Canonic Smiles
NC(=O)C[C@H](C(=O)O)NC(=O)C
Isomeric Smiles
CC(=O)N[C@H](CC(=O)N)C(=O)O
Calculated Properties
JChem
Acid pKa
3.635162
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-4.0700493
LogD (pH = 7.4)
-5.539064
Log P
-2.208619
Molar Refractivity
37.7987
Polarizability
14.951302
Polar Surface Area
109.49
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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