2-(1-hydroxy-3-methylcyclopentyl)furan-3-carboxylic acid

C11H14O4 — CID 107432289

IUPAC2-(1-hydroxy-3-methylcyclopentyl)furan-3-carboxylic acid
SMILESCC1CCC(O)(c2occc2C(=O)O)C1
InChIInChI=1S/C11H14O4/c1-7-2-4-11(14,6-7)9-8(10(12)13)3-5-15-9/h3,5,7,14H,2,4,6H2,1H3,(H,12,13)
InChIKeyPTRLHTHRDXYNOF-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.99
Rot. Bonds2

About 2-(1-hydroxy-3-methylcyclopentyl)furan-3-carboxylic acid

2-(1-hydroxy-3-methylcyclopentyl)furan-3-carboxylic acid (PubChem CID 107432289) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(1-hydroxy-3-methylcyclopentyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-hydroxy-3-methylcyclopentyl)furan-3-carboxylic acid
PubChem CID107432289
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-(1-hydroxy-3-methylcyclopentyl)furan-3-carboxylic acid
SMILESCC1CCC(O)(c2occc2C(=O)O)C1
InChIInChI=1S/C11H14O4/c1-7-2-4-11(14,6-7)9-8(10(12)13)3-5-15-9/h3,5,7,14H,2,4,6H2,1H3,(H,12,13)
InChIKeyPTRLHTHRDXYNOF-UHFFFAOYSA-N
XLogP1.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxy-3,3,5-trimethylcyclohexyl)furan-3-carboxylic acid
CID 107431944
2-(4-amino-1-hydroxycyclohexyl)furan-3-carboxylic acid
CID 107432446
2-(1-hydroxy-2-methylcyclobutyl)furan-3-carboxylic acid
CID 126981374
2-(1-hydroxy-3-propan-2-ylcyclobutyl)furan-3-carboxylic acid
CID 107432685
2-(1-hydroxy-4-propylcycloheptyl)furan-3-carboxylic acid
CID 107432327
2-(4-hydroxyazepan-4-yl)furan-3-carboxylic acid
CID 107432569
2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]furan-3-carboxylic acid
CID 103248743
2-[[(4-methylcyclohexyl)methylamino]methyl]furan-3-carboxylic acid
CID 103250437
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]furan-3-carboxylic acid
CID 103250212
(2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 106685117
1-(3-bromofuran-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429867
2-[(2,4-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid
CID 62332325

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-methylcyclopentyl)furan-3-carboxylic acid?
The IUPAC name of 2-(1-hydroxy-3-methylcyclopentyl)furan-3-carboxylic acid (CID 107432289) is 2-(1-hydroxy-3-methylcyclopentyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-(1-hydroxy-3-methylcyclopentyl)furan-3-carboxylic acid?
The canonical SMILES for 2-(1-hydroxy-3-methylcyclopentyl)furan-3-carboxylic acid is CC1CCC(O)(c2occc2C(=O)O)C1.
What is the InChIKey of 2-(1-hydroxy-3-methylcyclopentyl)furan-3-carboxylic acid?
The InChIKey is PTRLHTHRDXYNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-7-2-4-11(14,6-7)9-8(10(12)13)3-5-15-9/h3,5,7,14H,2,4,6H2,1H3,(H,12,13).
What are the key properties of 2-(1-hydroxy-3-methylcyclopentyl)furan-3-carboxylic acid?
2-(1-hydroxy-3-methylcyclopentyl)furan-3-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-methylcyclopentyl)furan-3-carboxylic acid is sourced from PubChem (CID 107432289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).