5-(3-ethyl-1-hydroxycyclopentyl)furan-2-carboxylic acid

C12H16O4 — CID 106946107

IUPAC5-(3-ethyl-1-hydroxycyclopentyl)furan-2-carboxylic acid
SMILESCCC1CCC(O)(c2ccc(C(=O)O)o2)C1
InChIInChI=1S/C12H16O4/c1-2-8-5-6-12(15,7-8)10-4-3-9(16-10)11(13)14/h3-4,8,15H,2,5-7H2,1H3,(H,13,14)
InChIKeyXMGNETYYIMNRHI-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.38
Rot. Bonds3

About 5-(3-ethyl-1-hydroxycyclopentyl)furan-2-carboxylic acid

5-(3-ethyl-1-hydroxycyclopentyl)furan-2-carboxylic acid (PubChem CID 106946107) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-(3-ethyl-1-hydroxycyclopentyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-ethyl-1-hydroxycyclopentyl)furan-2-carboxylic acid
PubChem CID106946107
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name5-(3-ethyl-1-hydroxycyclopentyl)furan-2-carboxylic acid
SMILESCCC1CCC(O)(c2ccc(C(=O)O)o2)C1
InChIInChI=1S/C12H16O4/c1-2-8-5-6-12(15,7-8)10-4-3-9(16-10)11(13)14/h3-4,8,15H,2,5-7H2,1H3,(H,13,14)
InChIKeyXMGNETYYIMNRHI-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-amino-1-hydroxycyclohexyl)furan-2-carboxylic acid
CID 106946250
5-(3-hydroxy-5-methylthiolan-3-yl)furan-2-carboxylic acid
CID 106946211
5-(2-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)furan-2-carboxylic acid
CID 106946294
5-(3-hydroxy-1-methylpyrrolidin-3-yl)furan-2-carboxylic acid
CID 106945846
5-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)furan-2-carboxylic acid
CID 106945824
3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol
CID 114723863
5-(3-hydroxypiperidin-3-yl)furan-2-carboxylic acid
CID 103840627
3-ethyl-1-[(4-iodophenyl)methyl]cyclopentane-1-carboxylic acid
CID 65491186
methyl 5-(1-hydroxy-4-methoxycyclohexyl)furan-2-carboxylate
CID 106946391
5-(4-ethylazepane-1-carbonyl)furan-2-carboxylic acid
CID 75356033
5-(cyclopropylmethyl)furan-2-carboxylic acid
CID 83815892
5-[1-[(3-ethylcyclohexyl)amino]ethyl]furan-2-carboxylic acid
CID 103253786

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-1-hydroxycyclopentyl)furan-2-carboxylic acid?
The IUPAC name of 5-(3-ethyl-1-hydroxycyclopentyl)furan-2-carboxylic acid (CID 106946107) is 5-(3-ethyl-1-hydroxycyclopentyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(3-ethyl-1-hydroxycyclopentyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(3-ethyl-1-hydroxycyclopentyl)furan-2-carboxylic acid is CCC1CCC(O)(c2ccc(C(=O)O)o2)C1.
What is the InChIKey of 5-(3-ethyl-1-hydroxycyclopentyl)furan-2-carboxylic acid?
The InChIKey is XMGNETYYIMNRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-2-8-5-6-12(15,7-8)10-4-3-9(16-10)11(13)14/h3-4,8,15H,2,5-7H2,1H3,(H,13,14).
What are the key properties of 5-(3-ethyl-1-hydroxycyclopentyl)furan-2-carboxylic acid?
5-(3-ethyl-1-hydroxycyclopentyl)furan-2-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-1-hydroxycyclopentyl)furan-2-carboxylic acid is sourced from PubChem (CID 106946107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).