potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid

C6H10KNO4S2 — CID 164901844

IUPACpotassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid
SMILESCC(O)C(=O)NC(CS[S-])C(=O)O.[K+]
InChIInChI=1S/C6H11NO4S2.K/c1-3(8)5(9)7-4(2-13-12)6(10)11;/h3-4,8,12H,2H2,1H3,(H,7,9)(H,10,11);/q;+1/p-1
InChIKeyAVELXOBIJVHNMJ-UHFFFAOYSA-M
MW263.38 g/mol
LogP-3.86
Rot. Bonds5

About potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid

potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid (PubChem CID 164901844) has the molecular formula C6H10KNO4S2 and a molecular weight of 263.38 g/mol. Its IUPAC name is potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid.

Molecular Properties

Compound Namepotassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid
PubChem CID164901844
Molecular FormulaC6H10KNO4S2
Molecular Weight263.38 g/mol
Exact Mass262.97
IUPAC Namepotassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid
SMILESCC(O)C(=O)NC(CS[S-])C(=O)O.[K+]
InChIInChI=1S/C6H11NO4S2.K/c1-3(8)5(9)7-4(2-13-12)6(10)11;/h3-4,8,12H,2H2,1H3,(H,7,9)(H,10,11);/q;+1/p-1
InChIKeyAVELXOBIJVHNMJ-UHFFFAOYSA-M
XLogP-3.86
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 5-3.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid?
The IUPAC name of potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid (CID 164901844) is potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid.
What is the SMILES notation for potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid?
The canonical SMILES for potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid is CC(O)C(=O)NC(CS[S-])C(=O)O.[K+].
What is the InChIKey of potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid?
The InChIKey is AVELXOBIJVHNMJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11NO4S2.K/c1-3(8)5(9)7-4(2-13-12)6(10)11;/h3-4,8,12H,2H2,1H3,(H,7,9)(H,10,11);/q;+1/p-1.
What are the key properties of potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid?
potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid has a molecular weight of 263.38 g/mol, XLogP of -3.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid is sourced from PubChem (CID 164901844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).