5-[2-(diethylcarbamoyl)pyrrolidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid

C17H24N2O5 — CID 120821447

IUPAC5-[2-(diethylcarbamoyl)pyrrolidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)N2CCCC2C(=O)N(CC)CC)cc1C(=O)O
InChIInChI=1S/C17H24N2O5/c1-4-13-11(17(22)23)10-14(24-13)16(21)19-9-7-8-12(19)15(20)18(5-2)6-3/h10,12H,4-9H2,1-3H3,(H,22,23)
InChIKeyMQRMCZLVEDRXMG-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.01
Rot. Bonds6

About 5-[2-(diethylcarbamoyl)pyrrolidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid

5-[2-(diethylcarbamoyl)pyrrolidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid (PubChem CID 120821447) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 5-[2-(diethylcarbamoyl)pyrrolidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(diethylcarbamoyl)pyrrolidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
PubChem CID120821447
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name5-[2-(diethylcarbamoyl)pyrrolidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)N2CCCC2C(=O)N(CC)CC)cc1C(=O)O
InChIInChI=1S/C17H24N2O5/c1-4-13-11(17(22)23)10-14(24-13)16(21)19-9-7-8-12(19)15(20)18(5-2)6-3/h10,12H,4-9H2,1-3H3,(H,22,23)
InChIKeyMQRMCZLVEDRXMG-UHFFFAOYSA-N
XLogP2.01
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-[2-(2-methylpropyl)piperidine-1-carbonyl]furan-3-carboxylic acid
CID 120822409
5-(2,6-dimethylazepane-1-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120821924
(2R)-1-(3,4-difluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 95196086
5-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120822361
3-[2-(diethylcarbamoyl)pyrrolidine-1-carbonyl]-5-nitrobenzoic acid
CID 119182636
(2R)-N,N-diethyl-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 95196009
1-[4-(aminomethyl)benzoyl]-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 119305873
2-ethyl-5-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carbonyl]furan-3-carboxylic acid
CID 120822175
2-ethyl-5-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)furan-3-carboxylic acid
CID 120820891
(2R)-1-(3-cyanobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 95196179
5-(3,5-dimethylmorpholine-4-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120822008
2-ethyl-5-(2-methyl-4-phenylpyrrolidine-1-carbonyl)furan-3-carboxylic acid
CID 120822598

Frequently Asked Questions

What is the IUPAC name of 5-[2-(diethylcarbamoyl)pyrrolidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid?
The IUPAC name of 5-[2-(diethylcarbamoyl)pyrrolidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid (CID 120821447) is 5-[2-(diethylcarbamoyl)pyrrolidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[2-(diethylcarbamoyl)pyrrolidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid?
The canonical SMILES for 5-[2-(diethylcarbamoyl)pyrrolidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid is CCc1oc(C(=O)N2CCCC2C(=O)N(CC)CC)cc1C(=O)O.
What is the InChIKey of 5-[2-(diethylcarbamoyl)pyrrolidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid?
The InChIKey is MQRMCZLVEDRXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-4-13-11(17(22)23)10-14(24-13)16(21)19-9-7-8-12(19)15(20)18(5-2)6-3/h10,12H,4-9H2,1-3H3,(H,22,23).
What are the key properties of 5-[2-(diethylcarbamoyl)pyrrolidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid?
5-[2-(diethylcarbamoyl)pyrrolidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid has a molecular weight of 336.39 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylcarbamoyl)pyrrolidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid is sourced from PubChem (CID 120821447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).