2-ethyl-5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid

C19H21NO4 — CID 120822598

IUPAC2-ethyl-5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid
SMILESCCc1oc(C(=O)N2CC(c3ccccc3)CC2C)cc1C(=O)O
InChIInChI=1S/C19H21NO4/c1-3-16-15(19(22)23)10-17(24-16)18(21)20-11-14(9-12(20)2)13-7-5-4-6-8-13/h4-8,10,12,14H,3,9,11H2,1-2H3,(H,22,23)
InChIKeyBVZYZOBJSZBGAJ-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.56
Rot. Bonds4

About 2-ethyl-5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid

2-ethyl-5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid (PubChem CID 120822598) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-ethyl-5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid
PubChem CID120822598
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-ethyl-5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid
SMILESCCc1oc(C(=O)N2CC(c3ccccc3)CC2C)cc1C(=O)O
InChIInChI=1S/C19H21NO4/c1-3-16-15(19(22)23)10-17(24-16)18(21)20-11-14(9-12(20)2)13-7-5-4-6-8-13/h4-8,10,12,14H,3,9,11H2,1-2H3,(H,22,23)
InChIKeyBVZYZOBJSZBGAJ-UHFFFAOYSA-N
XLogP3.56
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,6-dimethylazepane-1-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120821924
5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid
CID 120550364
5-(3,5-dimethylmorpholine-4-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120822008
2-ethyl-5-[4-(2-methylphenyl)piperidine-1-carbonyl]furan-3-carboxylic acid
CID 120821717
2-ethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-carboxylic acid
CID 120820779
5-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120822361
1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
CID 15365754
5-(4-acetylpiperazine-1-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120820566
2-ethyl-5-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)furan-3-carboxylic acid
CID 120820891
(2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide
CID 101423033
2-ethyl-5-[2-(2-methylpropyl)piperidine-1-carbonyl]furan-3-carboxylic acid
CID 120822409
5-[2-(diethylcarbamoyl)pyrrolidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 120821447

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid (CID 120822598) is 2-ethyl-5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid is CCc1oc(C(=O)N2CC(c3ccccc3)CC2C)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid?
The InChIKey is BVZYZOBJSZBGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-16-15(19(22)23)10-17(24-16)18(21)20-11-14(9-12(20)2)13-7-5-4-6-8-13/h4-8,10,12,14H,3,9,11H2,1-2H3,(H,22,23).
What are the key properties of 2-ethyl-5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid?
2-ethyl-5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid is sourced from PubChem (CID 120822598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).