1-(4,5-diethylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid

C15H21NO5 — CID 120689333

IUPAC1-(4,5-diethylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCCc1cc(C(=O)N2CC(OC)CC2C(=O)O)oc1CC
InChIInChI=1S/C15H21NO5/c1-4-9-6-13(21-12(9)5-2)14(17)16-8-10(20-3)7-11(16)15(18)19/h6,10-11H,4-5,7-8H2,1-3H3,(H,18,19)
InChIKeyWAFDUGFDOJJSHV-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.72
Rot. Bonds5

About 1-(4,5-diethylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid

1-(4,5-diethylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 120689333) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-(4,5-diethylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4,5-diethylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID120689333
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name1-(4,5-diethylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCCc1cc(C(=O)N2CC(OC)CC2C(=O)O)oc1CC
InChIInChI=1S/C15H21NO5/c1-4-9-6-13(21-12(9)5-2)14(17)16-8-10(20-3)7-11(16)15(18)19/h6,10-11H,4-5,7-8H2,1-3H3,(H,18,19)
InChIKeyWAFDUGFDOJJSHV-UHFFFAOYSA-N
XLogP1.72
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethyl-4-methylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 120534474
(4,5-diethylfuran-2-yl)-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 128966074
1-(3,5-dibromobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 107971197
1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 66122078
1-(3,5-dichlorobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43099378
1-(5-bromothiophene-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43359709
1-(4-chloro-1H-pyrrole-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43208944
1-(2,5-dibromothiophene-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 113354325
4-methoxy-1-[3-(methoxymethyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 120534347
1-(2,6-difluorobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 24697164
4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 24694266
4-methoxy-1-[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 120534511

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-diethylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4,5-diethylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid (CID 120689333) is 1-(4,5-diethylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4,5-diethylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4,5-diethylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid is CCc1cc(C(=O)N2CC(OC)CC2C(=O)O)oc1CC.
What is the InChIKey of 1-(4,5-diethylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is WAFDUGFDOJJSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-4-9-6-13(21-12(9)5-2)14(17)16-8-10(20-3)7-11(16)15(18)19/h6,10-11H,4-5,7-8H2,1-3H3,(H,18,19).
What are the key properties of 1-(4,5-diethylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
1-(4,5-diethylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-diethylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 120689333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).