4-cyclobutyloxane-3-carboxylic acid

C10H16O3 — CID 84769408

IUPAC4-cyclobutyloxane-3-carboxylic acid
SMILESO=C(O)C1COCCC1C1CCC1
InChIInChI=1S/C10H16O3/c11-10(12)9-6-13-5-4-8(9)7-2-1-3-7/h7-9H,1-6H2,(H,11,12)
InChIKeyZBVIHNPOAKZOKQ-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.52
Rot. Bonds2

About 4-cyclobutyloxane-3-carboxylic acid

4-cyclobutyloxane-3-carboxylic acid (PubChem CID 84769408) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4-cyclobutyloxane-3-carboxylic acid.

Molecular Properties

Compound Name4-cyclobutyloxane-3-carboxylic acid
PubChem CID84769408
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4-cyclobutyloxane-3-carboxylic acid
SMILESO=C(O)C1COCCC1C1CCC1
InChIInChI=1S/C10H16O3/c11-10(12)9-6-13-5-4-8(9)7-2-1-3-7/h7-9H,1-6H2,(H,11,12)
InChIKeyZBVIHNPOAKZOKQ-UHFFFAOYSA-N
XLogP1.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 81009329
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CID 70185276
cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid
CID 95788683
(4R)-3-hydroxyoxane-4-carboxylic acid
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(1R,3aR,7aS)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxylic acid
CID 100658244
(3S,4R)-oxolane-3,4-dicarboxylic acid
CID 45084963
2,3,4,4a,5,6,8,8a-octahydro-1H-pyrano[3,4-b]pyridine-4-carboxylic acid
CID 83915202
8-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
CID 89027512
(3S,4R)-4-[1-[2-[(1S,2S,4R)-2-bicyclo[2.2.2]oct-5-enyl]acetyl]piperidin-4-yl]oxane-3-carboxylic acid
CID 166314595
cis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid
CID 12992914
(1R,2R,6S)-bicyclo[4.1.0]heptane-2-carboxylic acid
CID 14143356
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-dicarboxylic acid
CID 15748739

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxane-3-carboxylic acid?
The IUPAC name of 4-cyclobutyloxane-3-carboxylic acid (CID 84769408) is 4-cyclobutyloxane-3-carboxylic acid.
What is the SMILES notation for 4-cyclobutyloxane-3-carboxylic acid?
The canonical SMILES for 4-cyclobutyloxane-3-carboxylic acid is O=C(O)C1COCCC1C1CCC1.
What is the InChIKey of 4-cyclobutyloxane-3-carboxylic acid?
The InChIKey is ZBVIHNPOAKZOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-10(12)9-6-13-5-4-8(9)7-2-1-3-7/h7-9H,1-6H2,(H,11,12).
What are the key properties of 4-cyclobutyloxane-3-carboxylic acid?
4-cyclobutyloxane-3-carboxylic acid has a molecular weight of 184.23 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxane-3-carboxylic acid is sourced from PubChem (CID 84769408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).