Molecule

ID:102468

General Information
Structure
MolImage
Molecular Formula
C₅H₈NNaO₄
Molecular Mass
169.11109
Exact Mass
169.03510202
Charge
0
InChI
InChI=1S/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1/t3-;/m0./s1
InChIKey
LPUQAYUQRXPFSQ-DFWYDOINSA-M
Canonic Smiles
[O-]C(=O)CC[C@@H](C(=O)O)N.[Na+]
Isomeric Smiles
[Na+].N[C@@H](CCC(=O)[O-])C(=O)O
Calculated Properties
JChem
Acid pKa
1.8777773
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-4.4458017
LogD (pH = 7.4)
-6.180975
Log P
-3.241447
Molar Refractivity
42.1248
Polarizability
12.57248
Polar Surface Area
103.45
Rotatable Bonds
4
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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