2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)butanoic acid

C12H16O3 — CID 84780202

IUPAC2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)butanoic acid
SMILESCCC(C(=O)O)c1c(C)oc2c1CCC2
InChIInChI=1S/C12H16O3/c1-3-8(12(13)14)11-7(2)15-10-6-4-5-9(10)11/h8H,3-6H2,1-2H3,(H,13,14)
InChIKeyOTJWJYUOYKCWNZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.65
Rot. Bonds3

About 2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)butanoic acid

2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)butanoic acid (PubChem CID 84780202) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)butanoic acid.

Molecular Properties

Compound Name2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)butanoic acid
PubChem CID84780202
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)butanoic acid
SMILESCCC(C(=O)O)c1c(C)oc2c1CCC2
InChIInChI=1S/C12H16O3/c1-3-8(12(13)14)11-7(2)15-10-6-4-5-9(10)11/h8H,3-6H2,1-2H3,(H,13,14)
InChIKeyOTJWJYUOYKCWNZ-UHFFFAOYSA-N
XLogP2.65
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)propanoic acid
CID 84780585
2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoic acid
CID 47003039
2-(2-methyl-1-benzofuran-3-yl)butanoic acid
CID 116987423
2-(methylamino)-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanol
CID 84677134
2-(5-chloro-2-hydroxy-3,6-dimethylphenyl)butanoic acid
CID 84801808
2-(2,4,7-trimethyl-1H-indol-3-yl)butanoic acid
CID 57355928
2-(2,3,5,6-tetrafluorophenyl)butanoic acid
CID 130134734
3-amino-2-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)propanoic acid
CID 84788670
2-(7-methyl-1-benzofuran-2-yl)butanoic acid
CID 82614755
ethyl 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate
CID 7116138
2-(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)acetic acid
CID 84665374
2-(2,6-dibromophenyl)butanoic acid
CID 130134758

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)butanoic acid?
The IUPAC name of 2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)butanoic acid (CID 84780202) is 2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)butanoic acid.
What is the SMILES notation for 2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)butanoic acid?
The canonical SMILES for 2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)butanoic acid is CCC(C(=O)O)c1c(C)oc2c1CCC2.
What is the InChIKey of 2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)butanoic acid?
The InChIKey is OTJWJYUOYKCWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-8(12(13)14)11-7(2)15-10-6-4-5-9(10)11/h8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)butanoic acid?
2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)butanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)butanoic acid is sourced from PubChem (CID 84780202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).