3-hydroxy-3-methylcyclobutane-1-carboxylic acid

C12H20O6 — CID 161059263

IUPAC3-hydroxy-3-methylcyclobutane-1-carboxylic acid
SMILESCC1(O)CC(C(=O)O)C1.CC1(O)CC(C(=O)O)C1
InChIInChI=1S/2C6H10O3/c2*1-6(9)2-4(3-6)5(7)8/h2*4,9H,2-3H2,1H3,(H,7,8)
InChIKeyUDEGYZQTUZZMAC-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.46
Rot. Bonds2

About 3-hydroxy-3-methylcyclobutane-1-carboxylic acid

3-hydroxy-3-methylcyclobutane-1-carboxylic acid (PubChem CID 161059263) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-hydroxy-3-methylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-3-methylcyclobutane-1-carboxylic acid
PubChem CID161059263
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Name3-hydroxy-3-methylcyclobutane-1-carboxylic acid
SMILESCC1(O)CC(C(=O)O)C1.CC1(O)CC(C(=O)O)C1
InChIInChI=1S/2C6H10O3/c2*1-6(9)2-4(3-6)5(7)8/h2*4,9H,2-3H2,1H3,(H,7,8)
InChIKeyUDEGYZQTUZZMAC-UHFFFAOYSA-N
XLogP0.46
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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2-hydroxy-2-methylspiro[3.5]nonane-7-carboxylic acid
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(1S,2R,3R,5S)-5-hydroxy-3,5-dimethylcyclohexane-1,2-dicarboxylic acid
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trans-(1S,3R)-4,4-dimethylcyclopentane-1,3-dicarboxylic acid
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6-(2,2-dimethylpropanoyl)spiro[3.3]heptane-2-carboxylic acid
CID 118217461
3,3-dimethyl-4-oxocyclopentane-1-carboxylic acid
CID 567708
2,2,6,6-tetraethyl-1-hydroxypiperidine-4-carboxylic acid
CID 176571405
(2S)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid
CID 54006314
3,3-dihydroxycyclopentane-1-carboxylic acid
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3-acetyl-3-methylcyclopentane-1-carboxylic acid
CID 89159175

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methylcyclobutane-1-carboxylic acid?
The IUPAC name of 3-hydroxy-3-methylcyclobutane-1-carboxylic acid (CID 161059263) is 3-hydroxy-3-methylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-3-methylcyclobutane-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-3-methylcyclobutane-1-carboxylic acid is CC1(O)CC(C(=O)O)C1.CC1(O)CC(C(=O)O)C1.
What is the InChIKey of 3-hydroxy-3-methylcyclobutane-1-carboxylic acid?
The InChIKey is UDEGYZQTUZZMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10O3/c2*1-6(9)2-4(3-6)5(7)8/h2*4,9H,2-3H2,1H3,(H,7,8).
What are the key properties of 3-hydroxy-3-methylcyclobutane-1-carboxylic acid?
3-hydroxy-3-methylcyclobutane-1-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 0.46, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 161059263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).