2-ethyl-5-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carbonyl]furan-3-carboxylic acid

C18H21NO5S — CID 120822175

About 2-ethyl-5-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carbonyl]furan-3-carboxylic acid

2-ethyl-5-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carbonyl]furan-3-carboxylic acid (PubChem CID 120822175) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-ethyl-5-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carbonyl]furan-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-ethyl-5-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carbonyl]furan-3-carboxylic acid
• PubChem CID: 120822175
• Molecular Formula: C18H21NO5S
• Molecular Weight: 363.44 g/mol
• Exact Mass: 363.11
• IUPAC Name: 2-ethyl-5-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carbonyl]furan-3-carboxylic acid
• SMILES: CCc1oc(C(=O)N2CCCC2CC(O)c2cccs2)cc1C(=O)O
• InChI: InChI=1S/C18H21NO5S/c1-2-14-12(18(22)23)10-15(24-14)17(21)19-7-3-5-11(19)9-13(20)16-6-4-8-25-16/h4,6,8,10-11,13,20H,2-3,5,7,9H2,1H3,(H,22,23)
• InChIKey: HKFJHYRICCVSNV-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.44
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carbonyl]furan-3-carboxylic acid?

The IUPAC name of 2-ethyl-5-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carbonyl]furan-3-carboxylic acid (CID 120822175) is 2-ethyl-5-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carbonyl]furan-3-carboxylic acid.

What is the SMILES notation for 2-ethyl-5-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carbonyl]furan-3-carboxylic acid?

The canonical SMILES for 2-ethyl-5-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carbonyl]furan-3-carboxylic acid is CCc1oc(C(=O)N2CCCC2CC(O)c2cccs2)cc1C(=O)O.

What is the InChIKey of 2-ethyl-5-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carbonyl]furan-3-carboxylic acid?

The InChIKey is HKFJHYRICCVSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-2-14-12(18(22)23)10-15(24-14)17(21)19-7-3-5-11(19)9-13(20)16-6-4-8-25-16/h4,6,8,10-11,13,20H,2-3,5,7,9H2,1H3,(H,22,23).

What are the key properties of 2-ethyl-5-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carbonyl]furan-3-carboxylic acid?

2-ethyl-5-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carbonyl]furan-3-carboxylic acid has a molecular weight of 363.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-5-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carbonyl]furan-3-carboxylic acid is sourced from PubChem (CID 120822175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).