3-hydroxyoxetane-3-carboxylic acid

C4H6O4 — CID 84647752

IUPAC3-hydroxyoxetane-3-carboxylic acid
SMILESO=C(O)C1(O)COC1
InChIInChI=1S/C4H6O4/c5-3(6)4(7)1-8-2-4/h7H,1-2H2,(H,5,6)
InChIKeyKAWRLDNYLIJABO-UHFFFAOYSA-N
MW118.09 g/mol
LogP-1.17
Rot. Bonds1

About 3-hydroxyoxetane-3-carboxylic acid

3-hydroxyoxetane-3-carboxylic acid (PubChem CID 84647752) has the molecular formula C4H6O4 and a molecular weight of 118.09 g/mol. Its IUPAC name is 3-hydroxyoxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-hydroxyoxetane-3-carboxylic acid
PubChem CID84647752
Molecular FormulaC4H6O4
Molecular Weight118.09 g/mol
Exact Mass118.03
IUPAC Name3-hydroxyoxetane-3-carboxylic acid
SMILESO=C(O)C1(O)COC1
InChIInChI=1S/C4H6O4/c5-3(6)4(7)1-8-2-4/h7H,1-2H2,(H,5,6)
InChIKeyKAWRLDNYLIJABO-UHFFFAOYSA-N
XLogP-1.17
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxyoxetane-3-carboxylic acid?
The IUPAC name of 3-hydroxyoxetane-3-carboxylic acid (CID 84647752) is 3-hydroxyoxetane-3-carboxylic acid.
What is the SMILES notation for 3-hydroxyoxetane-3-carboxylic acid?
The canonical SMILES for 3-hydroxyoxetane-3-carboxylic acid is O=C(O)C1(O)COC1.
What is the InChIKey of 3-hydroxyoxetane-3-carboxylic acid?
The InChIKey is KAWRLDNYLIJABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4/c5-3(6)4(7)1-8-2-4/h7H,1-2H2,(H,5,6).
What are the key properties of 3-hydroxyoxetane-3-carboxylic acid?
3-hydroxyoxetane-3-carboxylic acid has a molecular weight of 118.09 g/mol, XLogP of -1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyoxetane-3-carboxylic acid is sourced from PubChem (CID 84647752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).