potassium 3-hydroxy-2-oxopropanoate

C3H3KO4 — CID 117064470

IUPACpotassium 3-hydroxy-2-oxopropanoate
SMILESO=C([O-])C(=O)CO.[K+]
InChIInChI=1S/C3H4O4.K/c4-1-2(5)3(6)7;/h4H,1H2,(H,6,7);/q;+1/p-1
InChIKeyGQHLMYFYRZSQRJ-UHFFFAOYSA-M
MW142.15 g/mol
LogP-5.70
Rot. Bonds2

About potassium 3-hydroxy-2-oxopropanoate

potassium 3-hydroxy-2-oxopropanoate (PubChem CID 117064470) has the molecular formula C3H3KO4 and a molecular weight of 142.15 g/mol. Its IUPAC name is potassium 3-hydroxy-2-oxopropanoate.

Molecular Properties

Compound Namepotassium 3-hydroxy-2-oxopropanoate
PubChem CID117064470
Molecular FormulaC3H3KO4
Molecular Weight142.15 g/mol
Exact Mass141.97
IUPAC Namepotassium 3-hydroxy-2-oxopropanoate
SMILESO=C([O-])C(=O)CO.[K+]
InChIInChI=1S/C3H4O4.K/c4-1-2(5)3(6)7;/h4H,1H2,(H,6,7);/q;+1/p-1
InChIKeyGQHLMYFYRZSQRJ-UHFFFAOYSA-M
XLogP-5.70
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 5-5.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

sodium;3-hydroxy-2-oxopropanoate;hydrate
CID 117064447
dipotassium bis(2-hydroxyacetate)
CID 140653272
2-hydroxyacetate
CID 5460308
cerium;oxalate
CID 8762
dysprosium(3+);tris(2-hydroxyacetate)
CID 158146925
tris(2-hydroxyacetate);iridium(3+)
CID 158441249
zinc bis(2-hydroxyacetate)
CID 15245444
2-hydroxyacetate;iron(2+)
CID 18504415
tris(2-hydroxyacetate);yttrium(3+)
CID 161004200
azanium;2-hydroxyacetate;titanium
CID 173336650
magnesium;2-hydroxyacetate;chloride
CID 18799087
bis(2-hydroxyacetate);titanium(2+);dihydrate
CID 87109792

Frequently Asked Questions

What is the IUPAC name of potassium 3-hydroxy-2-oxopropanoate?
The IUPAC name of potassium 3-hydroxy-2-oxopropanoate (CID 117064470) is potassium 3-hydroxy-2-oxopropanoate.
What is the SMILES notation for potassium 3-hydroxy-2-oxopropanoate?
The canonical SMILES for potassium 3-hydroxy-2-oxopropanoate is O=C([O-])C(=O)CO.[K+].
What is the InChIKey of potassium 3-hydroxy-2-oxopropanoate?
The InChIKey is GQHLMYFYRZSQRJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4O4.K/c4-1-2(5)3(6)7;/h4H,1H2,(H,6,7);/q;+1/p-1.
What are the key properties of potassium 3-hydroxy-2-oxopropanoate?
potassium 3-hydroxy-2-oxopropanoate has a molecular weight of 142.15 g/mol, XLogP of -5.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-hydroxy-2-oxopropanoate is sourced from PubChem (CID 117064470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).