4-(3-cyclobutyloxetan-3-yl)butanoic acid

C11H18O3 — CID 116872007

IUPAC4-(3-cyclobutyloxetan-3-yl)butanoic acid
SMILESO=C(O)CCCC1(C2CCC2)COC1
InChIInChI=1S/C11H18O3/c12-10(13)5-2-6-11(7-14-8-11)9-3-1-4-9/h9H,1-8H2,(H,12,13)
InChIKeyFPKUWEFTLNWUIF-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.06
Rot. Bonds5

About 4-(3-cyclobutyloxetan-3-yl)butanoic acid

4-(3-cyclobutyloxetan-3-yl)butanoic acid (PubChem CID 116872007) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 4-(3-cyclobutyloxetan-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-cyclobutyloxetan-3-yl)butanoic acid
PubChem CID116872007
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name4-(3-cyclobutyloxetan-3-yl)butanoic acid
SMILESO=C(O)CCCC1(C2CCC2)COC1
InChIInChI=1S/C11H18O3/c12-10(13)5-2-6-11(7-14-8-11)9-3-1-4-9/h9H,1-8H2,(H,12,13)
InChIKeyFPKUWEFTLNWUIF-UHFFFAOYSA-N
XLogP2.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2S,6R)-1-amino-2,6-dihydroxycyclohexyl]butanoic acid
CID 121226816
N-methyl-3-[3-(oxan-4-yl)oxetan-3-yl]propan-1-amine
CID 116870175
4-(3-carboxypropyl)oxane-4-carboxylic acid
CID 70529226
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid
CID 28972400
8-cyclobutyloctanoic acid
CID 72551210
14-(2,2-dichloro-1-cyclopentylcyclopentyl)tetradecanoic acid
CID 142644074
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
1-(3-carboxypropyl)cyclodecane-1-carboxylic acid
CID 66632824
bismuthane;dodecanedioic acid
CID 173224414
7-(oxolan-2-yl)heptanoic acid
CID 174977398
butanedioic acid;oxolane
CID 70210247
N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid
CID 70625667

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclobutyloxetan-3-yl)butanoic acid?
The IUPAC name of 4-(3-cyclobutyloxetan-3-yl)butanoic acid (CID 116872007) is 4-(3-cyclobutyloxetan-3-yl)butanoic acid.
What is the SMILES notation for 4-(3-cyclobutyloxetan-3-yl)butanoic acid?
The canonical SMILES for 4-(3-cyclobutyloxetan-3-yl)butanoic acid is O=C(O)CCCC1(C2CCC2)COC1.
What is the InChIKey of 4-(3-cyclobutyloxetan-3-yl)butanoic acid?
The InChIKey is FPKUWEFTLNWUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c12-10(13)5-2-6-11(7-14-8-11)9-3-1-4-9/h9H,1-8H2,(H,12,13).
What are the key properties of 4-(3-cyclobutyloxetan-3-yl)butanoic acid?
4-(3-cyclobutyloxetan-3-yl)butanoic acid has a molecular weight of 198.26 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclobutyloxetan-3-yl)butanoic acid is sourced from PubChem (CID 116872007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).