3-[1-(3-ethoxy-3-oxopropyl)cyclobutyl]propanoic acid

C12H20O4 — CID 69312461

IUPAC3-[1-(3-ethoxy-3-oxopropyl)cyclobutyl]propanoic acid
SMILESCCOC(=O)CCC1(CCC(=O)O)CCC1
InChIInChI=1S/C12H20O4/c1-2-16-11(15)5-9-12(6-3-7-12)8-4-10(13)14/h2-9H2,1H3,(H,13,14)
InChIKeyYEWSWYYBIJSXOB-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.36
Rot. Bonds7

About 3-[1-(3-ethoxy-3-oxopropyl)cyclobutyl]propanoic acid

3-[1-(3-ethoxy-3-oxopropyl)cyclobutyl]propanoic acid (PubChem CID 69312461) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[1-(3-ethoxy-3-oxopropyl)cyclobutyl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-ethoxy-3-oxopropyl)cyclobutyl]propanoic acid
PubChem CID69312461
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name3-[1-(3-ethoxy-3-oxopropyl)cyclobutyl]propanoic acid
SMILESCCOC(=O)CCC1(CCC(=O)O)CCC1
InChIInChI=1S/C12H20O4/c1-2-16-11(15)5-9-12(6-3-7-12)8-4-10(13)14/h2-9H2,1H3,(H,13,14)
InChIKeyYEWSWYYBIJSXOB-UHFFFAOYSA-N
XLogP2.36
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(1-hydroxycyclobutyl)propanoate
CID 66323401
ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
methyl 3-[1-(1-aminocyclopropyl)cyclobutyl]propanoate
CID 166774672
ethyl 2-[1-(3-oxobutyl)cyclohexyl]acetate
CID 174738160
benzene;4-ethoxy-4-oxobutanoic acid
CID 67333370
5-ethoxy-5-oxopentanoic acid;pentanedioic acid
CID 161278417
sodium;4-ethoxy-4-oxobutanoic acid;hydride
CID 173021123
2-[1-[[(3-ethoxy-3-oxopropyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81164998
21-ethoxy-21-oxohenicosanoic acid
CID 155487301
23-ethoxy-23-oxotricosanoic acid
CID 67326593
ethyl 3-(3-fluoro-1-formylpiperidin-3-yl)propanoate
CID 131996982
ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propanoate
CID 115454884

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-ethoxy-3-oxopropyl)cyclobutyl]propanoic acid?
The IUPAC name of 3-[1-(3-ethoxy-3-oxopropyl)cyclobutyl]propanoic acid (CID 69312461) is 3-[1-(3-ethoxy-3-oxopropyl)cyclobutyl]propanoic acid.
What is the SMILES notation for 3-[1-(3-ethoxy-3-oxopropyl)cyclobutyl]propanoic acid?
The canonical SMILES for 3-[1-(3-ethoxy-3-oxopropyl)cyclobutyl]propanoic acid is CCOC(=O)CCC1(CCC(=O)O)CCC1.
What is the InChIKey of 3-[1-(3-ethoxy-3-oxopropyl)cyclobutyl]propanoic acid?
The InChIKey is YEWSWYYBIJSXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-2-16-11(15)5-9-12(6-3-7-12)8-4-10(13)14/h2-9H2,1H3,(H,13,14).
What are the key properties of 3-[1-(3-ethoxy-3-oxopropyl)cyclobutyl]propanoic acid?
3-[1-(3-ethoxy-3-oxopropyl)cyclobutyl]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-ethoxy-3-oxopropyl)cyclobutyl]propanoic acid is sourced from PubChem (CID 69312461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).