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

C10H12O4 — CID 126981374

IUPAC2-(1-hydroxy-2-methylcyclobutyl)furan-3-carboxylic acid
SMILESCC1CCC1(O)c1occc1C(=O)O
InChIInChI=1S/C10H12O4/c1-6-2-4-10(6,13)8-7(9(11)12)3-5-14-8/h3,5-6,13H,2,4H2,1H3,(H,11,12)
InChIKeySBRKJPCWRRZILU-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.60
Rot. Bonds2

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

2-(1-hydroxy-2-methylcyclobutyl)furan-3-carboxylic acid (PubChem CID 126981374) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-(1-hydroxy-2-methylcyclobutyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-hydroxy-2-methylcyclobutyl)furan-3-carboxylic acid
PubChem CID126981374
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2-(1-hydroxy-2-methylcyclobutyl)furan-3-carboxylic acid
SMILESCC1CCC1(O)c1occc1C(=O)O
InChIInChI=1S/C10H12O4/c1-6-2-4-10(6,13)8-7(9(11)12)3-5-14-8/h3,5-6,13H,2,4H2,1H3,(H,11,12)
InChIKeySBRKJPCWRRZILU-UHFFFAOYSA-N
XLogP1.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.60
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-(4-amino-1-hydroxycyclohexyl)furan-3-carboxylic acid
CID 107432446
2-(1-hydroxy-3,3,5-trimethylcyclohexyl)furan-3-carboxylic acid
CID 107431944
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-cyclopropyl-1-hydroxyethyl)furan-3-carboxylic acid
CID 107432001
2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]furan-3-carboxylic acid
CID 103248743
2-[(2,6-dimethylpiperidin-1-yl)carbamoyl]furan-3-carboxylic acid
CID 114263532
2-(6-hydroxy-5-methyl-4,5-dihydrocyclopenta[b]furan-6-yl)acetic acid
CID 112715469
2-[(2-methylcyclohexyl)oxymethyl]furan-3-carboxylic acid
CID 43477499
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-2-methylcyclobutyl)furan-3-carboxylic acid?
The IUPAC name of 2-(1-hydroxy-2-methylcyclobutyl)furan-3-carboxylic acid (CID 126981374) is 2-(1-hydroxy-2-methylcyclobutyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-(1-hydroxy-2-methylcyclobutyl)furan-3-carboxylic acid?
The canonical SMILES for 2-(1-hydroxy-2-methylcyclobutyl)furan-3-carboxylic acid is CC1CCC1(O)c1occc1C(=O)O.
What is the InChIKey of 2-(1-hydroxy-2-methylcyclobutyl)furan-3-carboxylic acid?
The InChIKey is SBRKJPCWRRZILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-6-2-4-10(6,13)8-7(9(11)12)3-5-14-8/h3,5-6,13H,2,4H2,1H3,(H,11,12).
What are the key properties of 2-(1-hydroxy-2-methylcyclobutyl)furan-3-carboxylic acid?
2-(1-hydroxy-2-methylcyclobutyl)furan-3-carboxylic acid has a molecular weight of 196.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-methylcyclobutyl)furan-3-carboxylic acid is sourced from PubChem (CID 126981374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).