ethyl 5-[[3-(2-ethyl-5-oxopyrrolidin-2-yl)propanoylamino]methyl]furan-2-carboxylate

C17H24N2O5 — CID 45186179

IUPACethyl 5-[[3-(2-ethyl-5-oxopyrrolidin-2-yl)propanoylamino]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNC(=O)CCC2(CC)CCC(=O)N2)o1
InChIInChI=1S/C17H24N2O5/c1-3-17(10-8-15(21)19-17)9-7-14(20)18-11-12-5-6-13(24-12)16(22)23-4-2/h5-6H,3-4,7-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXJGFYCHGPXMSTF-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.91
Rot. Bonds8

About ethyl 5-[[3-(2-ethyl-5-oxopyrrolidin-2-yl)propanoylamino]methyl]furan-2-carboxylate

ethyl 5-[[3-(2-ethyl-5-oxopyrrolidin-2-yl)propanoylamino]methyl]furan-2-carboxylate (PubChem CID 45186179) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is ethyl 5-[[3-(2-ethyl-5-oxopyrrolidin-2-yl)propanoylamino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[3-(2-ethyl-5-oxopyrrolidin-2-yl)propanoylamino]methyl]furan-2-carboxylate
PubChem CID45186179
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Nameethyl 5-[[3-(2-ethyl-5-oxopyrrolidin-2-yl)propanoylamino]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNC(=O)CCC2(CC)CCC(=O)N2)o1
InChIInChI=1S/C17H24N2O5/c1-3-17(10-8-15(21)19-17)9-7-14(20)18-11-12-5-6-13(24-12)16(22)23-4-2/h5-6H,3-4,7-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXJGFYCHGPXMSTF-UHFFFAOYSA-N
XLogP1.91
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[3-(2-ethyl-5-oxopyrrolidin-2-yl)propanoylamino]methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[[3-(2-ethyl-5-oxopyrrolidin-2-yl)propanoylamino]methyl]furan-2-carboxylate (CID 45186179) is ethyl 5-[[3-(2-ethyl-5-oxopyrrolidin-2-yl)propanoylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[[3-(2-ethyl-5-oxopyrrolidin-2-yl)propanoylamino]methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[[3-(2-ethyl-5-oxopyrrolidin-2-yl)propanoylamino]methyl]furan-2-carboxylate is CCOC(=O)c1ccc(CNC(=O)CCC2(CC)CCC(=O)N2)o1.
What is the InChIKey of ethyl 5-[[3-(2-ethyl-5-oxopyrrolidin-2-yl)propanoylamino]methyl]furan-2-carboxylate?
The InChIKey is XJGFYCHGPXMSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-3-17(10-8-15(21)19-17)9-7-14(20)18-11-12-5-6-13(24-12)16(22)23-4-2/h5-6H,3-4,7-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of ethyl 5-[[3-(2-ethyl-5-oxopyrrolidin-2-yl)propanoylamino]methyl]furan-2-carboxylate?
ethyl 5-[[3-(2-ethyl-5-oxopyrrolidin-2-yl)propanoylamino]methyl]furan-2-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[3-(2-ethyl-5-oxopyrrolidin-2-yl)propanoylamino]methyl]furan-2-carboxylate is sourced from PubChem (CID 45186179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).