potassium (2R)-oxirane-2-carboxylate

C3H3KO3 — CID 23708734

IUPACpotassium (2R)-oxirane-2-carboxylate
SMILESO=C([O-])[C@H]1CO1.[K+]
InChIInChI=1S/C3H4O3.K/c4-3(5)2-1-6-2;/h2H,1H2,(H,4,5);/q;+1/p-1/t2-;/m1./s1
InChIKeyCMQCDPNYSJUSEH-HSHFZTNMSA-M
MW126.15 g/mol
LogP-4.86
Rot. Bonds1

About potassium (2R)-oxirane-2-carboxylate

potassium (2R)-oxirane-2-carboxylate (PubChem CID 23708734) has the molecular formula C3H3KO3 and a molecular weight of 126.15 g/mol. Its IUPAC name is potassium (2R)-oxirane-2-carboxylate.

Molecular Properties

Compound Namepotassium (2R)-oxirane-2-carboxylate
PubChem CID23708734
Molecular FormulaC3H3KO3
Molecular Weight126.15 g/mol
Exact Mass125.97
IUPAC Namepotassium (2R)-oxirane-2-carboxylate
SMILESO=C([O-])[C@H]1CO1.[K+]
InChIInChI=1S/C3H4O3.K/c4-3(5)2-1-6-2;/h2H,1H2,(H,4,5);/q;+1/p-1/t2-;/m1./s1
InChIKeyCMQCDPNYSJUSEH-HSHFZTNMSA-M
XLogP-4.86
TPSA52.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 5-4.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium (2R)-oxirane-2-carboxylate?
The IUPAC name of potassium (2R)-oxirane-2-carboxylate (CID 23708734) is potassium (2R)-oxirane-2-carboxylate.
What is the SMILES notation for potassium (2R)-oxirane-2-carboxylate?
The canonical SMILES for potassium (2R)-oxirane-2-carboxylate is O=C([O-])[C@H]1CO1.[K+].
What is the InChIKey of potassium (2R)-oxirane-2-carboxylate?
The InChIKey is CMQCDPNYSJUSEH-HSHFZTNMSA-M. The full InChI is InChI=1S/C3H4O3.K/c4-3(5)2-1-6-2;/h2H,1H2,(H,4,5);/q;+1/p-1/t2-;/m1./s1.
What are the key properties of potassium (2R)-oxirane-2-carboxylate?
potassium (2R)-oxirane-2-carboxylate has a molecular weight of 126.15 g/mol, XLogP of -4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2R)-oxirane-2-carboxylate is sourced from PubChem (CID 23708734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).