3-(5-cyclopentylfuran-2-yl)propanoic acid

C12H16O3 — CID 83820418

IUPAC3-(5-cyclopentylfuran-2-yl)propanoic acid
SMILESO=C(O)CCc1ccc(C2CCCC2)o1
InChIInChI=1S/C12H16O3/c13-12(14)8-6-10-5-7-11(15-10)9-3-1-2-4-9/h5,7,9H,1-4,6,8H2,(H,13,14)
InChIKeyOZDMFKGHHWXRMB-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.95
Rot. Bonds4

About 3-(5-cyclopentylfuran-2-yl)propanoic acid

3-(5-cyclopentylfuran-2-yl)propanoic acid (PubChem CID 83820418) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(5-cyclopentylfuran-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-cyclopentylfuran-2-yl)propanoic acid
PubChem CID83820418
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name3-(5-cyclopentylfuran-2-yl)propanoic acid
SMILESO=C(O)CCc1ccc(C2CCCC2)o1
InChIInChI=1S/C12H16O3/c13-12(14)8-6-10-5-7-11(15-10)9-3-1-2-4-9/h5,7,9H,1-4,6,8H2,(H,13,14)
InChIKeyOZDMFKGHHWXRMB-UHFFFAOYSA-N
XLogP2.95
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(thian-4-yl)furan-2-yl]propanoic acid
CID 83824815
3-(5-cycloheptyl-1,3-oxazol-2-yl)propanoic acid
CID 115042041
3-(5-sulfanylfuran-2-yl)propanoic acid
CID 119087453
3-(3-cyclopentylphenyl)propanoic acid
CID 83836630
2-[5-(4-methylcyclohexyl)furan-2-yl]ethanamine
CID 83833926
N-cyclohexyl-N-methyl-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 94472198
3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
CID 124811218
3-(3-bromo-4-cyclopentylphenyl)propanoic acid
CID 117478585
4-(4-cyclohexylphenyl)butanoic acid
CID 3041568
ethane;3-(5-phenacylfuran-2-yl)propanoic acid
CID 143696693
methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate
CID 112723028
2-[5-(1-methylpiperidin-4-yl)furan-2-yl]ethanamine
CID 83820490

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopentylfuran-2-yl)propanoic acid?
The IUPAC name of 3-(5-cyclopentylfuran-2-yl)propanoic acid (CID 83820418) is 3-(5-cyclopentylfuran-2-yl)propanoic acid.
What is the SMILES notation for 3-(5-cyclopentylfuran-2-yl)propanoic acid?
The canonical SMILES for 3-(5-cyclopentylfuran-2-yl)propanoic acid is O=C(O)CCc1ccc(C2CCCC2)o1.
What is the InChIKey of 3-(5-cyclopentylfuran-2-yl)propanoic acid?
The InChIKey is OZDMFKGHHWXRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c13-12(14)8-6-10-5-7-11(15-10)9-3-1-2-4-9/h5,7,9H,1-4,6,8H2,(H,13,14).
What are the key properties of 3-(5-cyclopentylfuran-2-yl)propanoic acid?
3-(5-cyclopentylfuran-2-yl)propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopentylfuran-2-yl)propanoic acid is sourced from PubChem (CID 83820418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).