potassium (2R,3R)-3-methyloxirane-2-carboxylate

C4H5KO3 — CID 23690229

IUPACpotassium (2R,3R)-3-methyloxirane-2-carboxylate
SMILESC[C@H]1O[C@H]1C(=O)[O-].[K+]
InChIInChI=1S/C4H6O3.K/c1-2-3(7-2)4(5)6;/h2-3H,1H3,(H,5,6);/q;+1/p-1/t2-,3-;/m1./s1
InChIKeyXPJVTPNSXPMUSV-SWLXLVAMSA-M
MW140.18 g/mol
LogP-4.47
Rot. Bonds1

About potassium (2R,3R)-3-methyloxirane-2-carboxylate

potassium (2R,3R)-3-methyloxirane-2-carboxylate (PubChem CID 23690229) has the molecular formula C4H5KO3 and a molecular weight of 140.18 g/mol. Its IUPAC name is potassium (2R,3R)-3-methyloxirane-2-carboxylate.

Molecular Properties

Compound Namepotassium (2R,3R)-3-methyloxirane-2-carboxylate
PubChem CID23690229
Molecular FormulaC4H5KO3
Molecular Weight140.18 g/mol
Exact Mass139.99
IUPAC Namepotassium (2R,3R)-3-methyloxirane-2-carboxylate
SMILESC[C@H]1O[C@H]1C(=O)[O-].[K+]
InChIInChI=1S/C4H6O3.K/c1-2-3(7-2)4(5)6;/h2-3H,1H3,(H,5,6);/q;+1/p-1/t2-,3-;/m1./s1
InChIKeyXPJVTPNSXPMUSV-SWLXLVAMSA-M
XLogP-4.47
TPSA52.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 5-4.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze potassium (2R,3R)-3-methyloxirane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium (2R,3R)-3-methyloxirane-2-carboxylate?
The IUPAC name of potassium (2R,3R)-3-methyloxirane-2-carboxylate (CID 23690229) is potassium (2R,3R)-3-methyloxirane-2-carboxylate.
What is the SMILES notation for potassium (2R,3R)-3-methyloxirane-2-carboxylate?
The canonical SMILES for potassium (2R,3R)-3-methyloxirane-2-carboxylate is C[C@H]1O[C@H]1C(=O)[O-].[K+].
What is the InChIKey of potassium (2R,3R)-3-methyloxirane-2-carboxylate?
The InChIKey is XPJVTPNSXPMUSV-SWLXLVAMSA-M. The full InChI is InChI=1S/C4H6O3.K/c1-2-3(7-2)4(5)6;/h2-3H,1H3,(H,5,6);/q;+1/p-1/t2-,3-;/m1./s1.
What are the key properties of potassium (2R,3R)-3-methyloxirane-2-carboxylate?
potassium (2R,3R)-3-methyloxirane-2-carboxylate has a molecular weight of 140.18 g/mol, XLogP of -4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2R,3R)-3-methyloxirane-2-carboxylate is sourced from PubChem (CID 23690229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).