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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Related Compounds

2,4-dimethyloxetane-3-carboxylic acid
CID 168766151
(2S,3S,4R,5S)-oxolane-2,3,4,5-tetracarboxylic acid
CID 98108676
oxolane-2,3,4,5-tetracarboxylic acid;tetrahydrochloride
CID 66750488
sodium;hydride;(2R,3R)-3-methyloxirane-2-carboxylic acid
CID 175249214
(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid
CID 54302978
(3R,5R,6R)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid
CID 91138099
(3S,5R,6R)-3,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid
CID 153382641
(2S,3S,5R,6S)-3,5-dihydroxy-6-methyloxane-2-carboxylic acid
CID 167291493
potassium (2S,3S)-oxirane-2,3-dicarboxylic acid
CID 10197893
CID 173010882
CID 173010882
2,4-dimethylcyclobutane-1,3-dicarboxylic acid
CID 123455238
oxirane-2,3-dicarboxylic acid;palladium
CID 176654589

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).