oxetane-3-carboxylate

C4H5O3- — CID 19847185

IUPACoxetane-3-carboxylate
SMILESO=C([O-])C1COC1
InChIInChI=1S/C4H6O3/c5-4(6)3-1-7-2-3/h3H,1-2H2,(H,5,6)/p-1
InChIKeyUWOTZNQZPLAURK-UHFFFAOYSA-M
MW101.08 g/mol
LogP-1.62
Rot. Bonds1

About oxetane-3-carboxylate

oxetane-3-carboxylate (PubChem CID 19847185) has the molecular formula C4H5O3- and a molecular weight of 101.08 g/mol. Its IUPAC name is oxetane-3-carboxylate.

Molecular Properties

Compound Nameoxetane-3-carboxylate
PubChem CID19847185
Molecular FormulaC4H5O3-
Molecular Weight101.08 g/mol
Exact Mass101.02
IUPAC Nameoxetane-3-carboxylate
SMILESO=C([O-])C1COC1
InChIInChI=1S/C4H6O3/c5-4(6)3-1-7-2-3/h3H,1-2H2,(H,5,6)/p-1
InChIKeyUWOTZNQZPLAURK-UHFFFAOYSA-M
XLogP-1.62
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.08
LogP ≤ 5-1.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxetane-3-carboxylate?
The IUPAC name of oxetane-3-carboxylate (CID 19847185) is oxetane-3-carboxylate.
What is the SMILES notation for oxetane-3-carboxylate?
The canonical SMILES for oxetane-3-carboxylate is O=C([O-])C1COC1.
What is the InChIKey of oxetane-3-carboxylate?
The InChIKey is UWOTZNQZPLAURK-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O3/c5-4(6)3-1-7-2-3/h3H,1-2H2,(H,5,6)/p-1.
What are the key properties of oxetane-3-carboxylate?
oxetane-3-carboxylate has a molecular weight of 101.08 g/mol, XLogP of -1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxetane-3-carboxylate is sourced from PubChem (CID 19847185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).