5-[1-(2-ethylpyrrolidin-1-yl)ethyl]furan-2-carboxylic acid

C13H19NO3 — CID 79083753

IUPAC5-[1-(2-ethylpyrrolidin-1-yl)ethyl]furan-2-carboxylic acid
SMILESCCC1CCCN1C(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C13H19NO3/c1-3-10-5-4-8-14(10)9(2)11-6-7-12(17-11)13(15)16/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyWIGBMDSQAARHPT-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.91
Rot. Bonds4

About 5-[1-(2-ethylpyrrolidin-1-yl)ethyl]furan-2-carboxylic acid

5-[1-(2-ethylpyrrolidin-1-yl)ethyl]furan-2-carboxylic acid (PubChem CID 79083753) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-[1-(2-ethylpyrrolidin-1-yl)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2-ethylpyrrolidin-1-yl)ethyl]furan-2-carboxylic acid
PubChem CID79083753
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name5-[1-(2-ethylpyrrolidin-1-yl)ethyl]furan-2-carboxylic acid
SMILESCCC1CCCN1C(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C13H19NO3/c1-3-10-5-4-8-14(10)9(2)11-6-7-12(17-11)13(15)16/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyWIGBMDSQAARHPT-UHFFFAOYSA-N
XLogP2.91
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(5-ethyl-2-methylpiperidin-1-yl)ethyl]furan-2-carboxylic acid
CID 112734478
5-[1-(3-ethoxypiperidin-1-yl)ethyl]furan-2-carboxylic acid
CID 79090059
5-[1-(3-hydroxypiperidin-1-yl)ethyl]furan-2-carboxylic acid
CID 79083924
methyl 5-[1-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]furan-2-carboxylate
CID 79084701
5-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]furan-2-carboxylic acid
CID 79084540
2-[1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 65067851
5-[1-(3-methoxypyrrolidin-1-yl)ethyl]furan-2-carboxylic acid
CID 103535178
5-[1-(1-cyclohexylpropylamino)ethyl]furan-2-carboxylic acid
CID 103249989
5-[1-[3-(ethylcarbamoyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid
CID 83100910
5-[1-(1,4-thiazepan-4-yl)ethyl]furan-2-carboxylic acid
CID 79083657
5-[1-[(3-ethylcyclohexyl)amino]ethyl]furan-2-carboxylic acid
CID 103253786
5-[(1-ethylpyrrolidin-2-yl)methylamino]furan-2-carboxylic acid
CID 55050376

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-ethylpyrrolidin-1-yl)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(2-ethylpyrrolidin-1-yl)ethyl]furan-2-carboxylic acid (CID 79083753) is 5-[1-(2-ethylpyrrolidin-1-yl)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(2-ethylpyrrolidin-1-yl)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(2-ethylpyrrolidin-1-yl)ethyl]furan-2-carboxylic acid is CCC1CCCN1C(C)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-(2-ethylpyrrolidin-1-yl)ethyl]furan-2-carboxylic acid?
The InChIKey is WIGBMDSQAARHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-10-5-4-8-14(10)9(2)11-6-7-12(17-11)13(15)16/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,16).
What are the key properties of 5-[1-(2-ethylpyrrolidin-1-yl)ethyl]furan-2-carboxylic acid?
5-[1-(2-ethylpyrrolidin-1-yl)ethyl]furan-2-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-ethylpyrrolidin-1-yl)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 79083753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).