Molecule

ID:133293

General Information
Structure
MolImage
Molecular Formula
C₆H₉NO₄
Molecular Mass
159.13996
Exact Mass
159.05315777
Charge
0
InChI
InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)/t2-,3-,4-/m0/s1
InChIKey
GZOVEPYOCJWRFC-HZLVTQRSSA-N
Canonic Smiles
N[C@@H]([C@H]1C[C@@H]1C(=O)O)C(=O)O
Isomeric Smiles
C1[C@@H]([C@H]1C(=O)O)[C@@H](C(=O)O)N
Calculated Properties
JChem
Acid pKa
1.8009105
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-4.588545
LogD (pH = 7.4)
-6.283031
Log P
-3.2465143
Molar Refractivity
33.9306
Polarizability
13.802411
Polar Surface Area
100.62
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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