3-hydroxy-1-(oxan-3-yl)cyclobutane-1-carboxylic acid

C10H16O4 — CID 115021943

IUPAC3-hydroxy-1-(oxan-3-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C2CCCOC2)CC(O)C1
InChIInChI=1S/C10H16O4/c11-8-4-10(5-8,9(12)13)7-2-1-3-14-6-7/h7-8,11H,1-6H2,(H,12,13)
InChIKeyMZGSQGLBVVWOMF-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.64
Rot. Bonds2

About 3-hydroxy-1-(oxan-3-yl)cyclobutane-1-carboxylic acid

3-hydroxy-1-(oxan-3-yl)cyclobutane-1-carboxylic acid (PubChem CID 115021943) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 3-hydroxy-1-(oxan-3-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-1-(oxan-3-yl)cyclobutane-1-carboxylic acid
PubChem CID115021943
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name3-hydroxy-1-(oxan-3-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C2CCCOC2)CC(O)C1
InChIInChI=1S/C10H16O4/c11-8-4-10(5-8,9(12)13)7-2-1-3-14-6-7/h7-8,11H,1-6H2,(H,12,13)
InChIKeyMZGSQGLBVVWOMF-UHFFFAOYSA-N
XLogP0.64
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-difluoro-1-(oxan-3-yl)cyclobutane-1-carboxylic acid
CID 115031854
1-cycloheptyl-3-hydroxycyclobutane-1-carboxylic acid
CID 115027968
3-hydroxy-3-methyl-1-(oxan-3-yl)cyclobutane-1-carboxylic acid
CID 115028730
3-methyl-1-(oxan-3-yl)cyclohexane-1-carboxylic acid
CID 107137942
3-(oxan-3-yl)bicyclo[1.1.1]pentane-1-carboxylic acid
CID 167719186
3-(oxolan-3-yl)oxolane-3-carboxylic acid
CID 79426025
(3aS,6aR)-2-(oxane-3-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683031
2-(oxolan-3-yl)-1,3-dihydroindene-2-carboxylic acid
CID 79429170
4-ethyl-1-(oxolan-3-yl)cyclohexane-1-carboxylic acid
CID 79429126
3-(5-oxaspiro[3.5]nonan-8-yl)oxane-3-carboxylic acid
CID 103739463
(3R)-oxane-3-carboxylic acid
CID 42554318
bis[1,3-bis(oxan-3-yl)-2,4-dihydropyridin-3-yl]methanone
CID 67924498

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(oxan-3-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 3-hydroxy-1-(oxan-3-yl)cyclobutane-1-carboxylic acid (CID 115021943) is 3-hydroxy-1-(oxan-3-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-1-(oxan-3-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-1-(oxan-3-yl)cyclobutane-1-carboxylic acid is O=C(O)C1(C2CCCOC2)CC(O)C1.
What is the InChIKey of 3-hydroxy-1-(oxan-3-yl)cyclobutane-1-carboxylic acid?
The InChIKey is MZGSQGLBVVWOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c11-8-4-10(5-8,9(12)13)7-2-1-3-14-6-7/h7-8,11H,1-6H2,(H,12,13).
What are the key properties of 3-hydroxy-1-(oxan-3-yl)cyclobutane-1-carboxylic acid?
3-hydroxy-1-(oxan-3-yl)cyclobutane-1-carboxylic acid has a molecular weight of 200.23 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(oxan-3-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115021943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).