2-(1-hydroxy-3-propan-2-ylcyclobutyl)furan-3-carboxylic acid

C12H16O4 — CID 107432685

IUPAC2-(1-hydroxy-3-propan-2-ylcyclobutyl)furan-3-carboxylic acid
SMILESCC(C)C1CC(O)(c2occc2C(=O)O)C1
InChIInChI=1S/C12H16O4/c1-7(2)8-5-12(15,6-8)10-9(11(13)14)3-4-16-10/h3-4,7-8,15H,5-6H2,1-2H3,(H,13,14)
InChIKeyURTIEXVQTWQAPL-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.23
Rot. Bonds3

About 2-(1-hydroxy-3-propan-2-ylcyclobutyl)furan-3-carboxylic acid

2-(1-hydroxy-3-propan-2-ylcyclobutyl)furan-3-carboxylic acid (PubChem CID 107432685) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(1-hydroxy-3-propan-2-ylcyclobutyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-hydroxy-3-propan-2-ylcyclobutyl)furan-3-carboxylic acid
PubChem CID107432685
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-(1-hydroxy-3-propan-2-ylcyclobutyl)furan-3-carboxylic acid
SMILESCC(C)C1CC(O)(c2occc2C(=O)O)C1
InChIInChI=1S/C12H16O4/c1-7(2)8-5-12(15,6-8)10-9(11(13)14)3-4-16-10/h3-4,7-8,15H,5-6H2,1-2H3,(H,13,14)
InChIKeyURTIEXVQTWQAPL-UHFFFAOYSA-N
XLogP2.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxy-3-methylcyclopentyl)furan-3-carboxylic acid
CID 107432289
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-(4-hydroxyazepan-4-yl)furan-3-carboxylic acid
CID 107432569
2-(1-hydroxy-4-propylcycloheptyl)furan-3-carboxylic acid
CID 107432327
2-[cyclopropyl(1-cyclopropylethyl)sulfamoyl]furan-3-carboxylic acid
CID 138056799
2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid
CID 43569345
2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]furan-3-carboxylic acid
CID 106836382
2-(1-hydroxy-3-propan-2-ylcyclobutyl)propanoic acid
CID 103564879
2-[2-(dicyclopropylmethylamino)-2-oxoethyl]furan-3-carboxylic acid
CID 112749030
2-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]furan-3-carboxylic acid
CID 103262470

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-propan-2-ylcyclobutyl)furan-3-carboxylic acid?
The IUPAC name of 2-(1-hydroxy-3-propan-2-ylcyclobutyl)furan-3-carboxylic acid (CID 107432685) is 2-(1-hydroxy-3-propan-2-ylcyclobutyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-(1-hydroxy-3-propan-2-ylcyclobutyl)furan-3-carboxylic acid?
The canonical SMILES for 2-(1-hydroxy-3-propan-2-ylcyclobutyl)furan-3-carboxylic acid is CC(C)C1CC(O)(c2occc2C(=O)O)C1.
What is the InChIKey of 2-(1-hydroxy-3-propan-2-ylcyclobutyl)furan-3-carboxylic acid?
The InChIKey is URTIEXVQTWQAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-7(2)8-5-12(15,6-8)10-9(11(13)14)3-4-16-10/h3-4,7-8,15H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 2-(1-hydroxy-3-propan-2-ylcyclobutyl)furan-3-carboxylic acid?
2-(1-hydroxy-3-propan-2-ylcyclobutyl)furan-3-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-propan-2-ylcyclobutyl)furan-3-carboxylic acid is sourced from PubChem (CID 107432685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).