4-methyloxetane-2,3-dicarboxylic acid

C6H8O5 — CID 89315137

IUPAC4-methyloxetane-2,3-dicarboxylic acid
SMILESCC1OC(C(=O)O)C1C(=O)O
InChIInChI=1S/C6H8O5/c1-2-3(5(7)8)4(11-2)6(9)10/h2-4H,1H3,(H,7,8)(H,9,10)
InChIKeyXYSGDTBOIWFKPD-UHFFFAOYSA-N
MW160.12 g/mol
LogP-0.44
Rot. Bonds2

About 4-methyloxetane-2,3-dicarboxylic acid

4-methyloxetane-2,3-dicarboxylic acid (PubChem CID 89315137) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is 4-methyloxetane-2,3-dicarboxylic acid.

Molecular Properties

Compound Name4-methyloxetane-2,3-dicarboxylic acid
PubChem CID89315137
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name4-methyloxetane-2,3-dicarboxylic acid
SMILESCC1OC(C(=O)O)C1C(=O)O
InChIInChI=1S/C6H8O5/c1-2-3(5(7)8)4(11-2)6(9)10/h2-4H,1H3,(H,7,8)(H,9,10)
InChIKeyXYSGDTBOIWFKPD-UHFFFAOYSA-N
XLogP-0.44
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyloxetane-2,3-dicarboxylic acid?
The IUPAC name of 4-methyloxetane-2,3-dicarboxylic acid (CID 89315137) is 4-methyloxetane-2,3-dicarboxylic acid.
What is the SMILES notation for 4-methyloxetane-2,3-dicarboxylic acid?
The canonical SMILES for 4-methyloxetane-2,3-dicarboxylic acid is CC1OC(C(=O)O)C1C(=O)O.
What is the InChIKey of 4-methyloxetane-2,3-dicarboxylic acid?
The InChIKey is XYSGDTBOIWFKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O5/c1-2-3(5(7)8)4(11-2)6(9)10/h2-4H,1H3,(H,7,8)(H,9,10).
What are the key properties of 4-methyloxetane-2,3-dicarboxylic acid?
4-methyloxetane-2,3-dicarboxylic acid has a molecular weight of 160.12 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyloxetane-2,3-dicarboxylic acid is sourced from PubChem (CID 89315137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).