ethyl (2R,3R)-1-benzamido-3-(furan-2-yl)-5-oxopyrrolidine-2-carboxylate

C18H18N2O5 — CID 71581369

IUPACethyl (2R,3R)-1-benzamido-3-(furan-2-yl)-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](c2ccco2)CC(=O)N1NC(=O)c1ccccc1
InChIInChI=1S/C18H18N2O5/c1-2-24-18(23)16-13(14-9-6-10-25-14)11-15(21)20(16)19-17(22)12-7-4-3-5-8-12/h3-10,13,16H,2,11H2,1H3,(H,19,22)/t13-,16+/m0/s1
InChIKeyQHMYLWDSXKQZOL-XJKSGUPXSA-N
MW342.35 g/mol
LogP1.87
Rot. Bonds5

About ethyl (2R,3R)-1-benzamido-3-(furan-2-yl)-5-oxopyrrolidine-2-carboxylate

ethyl (2R,3R)-1-benzamido-3-(furan-2-yl)-5-oxopyrrolidine-2-carboxylate (PubChem CID 71581369) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is ethyl (2R,3R)-1-benzamido-3-(furan-2-yl)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3R)-1-benzamido-3-(furan-2-yl)-5-oxopyrrolidine-2-carboxylate
PubChem CID71581369
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Nameethyl (2R,3R)-1-benzamido-3-(furan-2-yl)-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](c2ccco2)CC(=O)N1NC(=O)c1ccccc1
InChIInChI=1S/C18H18N2O5/c1-2-24-18(23)16-13(14-9-6-10-25-14)11-15(21)20(16)19-17(22)12-7-4-3-5-8-12/h3-10,13,16H,2,11H2,1H3,(H,19,22)/t13-,16+/m0/s1
InChIKeyQHMYLWDSXKQZOL-XJKSGUPXSA-N
XLogP1.87
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-1-benzamido-3-(furan-2-yl)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2R,3R)-1-benzamido-3-(furan-2-yl)-5-oxopyrrolidine-2-carboxylate (CID 71581369) is ethyl (2R,3R)-1-benzamido-3-(furan-2-yl)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2R,3R)-1-benzamido-3-(furan-2-yl)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2R,3R)-1-benzamido-3-(furan-2-yl)-5-oxopyrrolidine-2-carboxylate is CCOC(=O)[C@H]1[C@H](c2ccco2)CC(=O)N1NC(=O)c1ccccc1.
What is the InChIKey of ethyl (2R,3R)-1-benzamido-3-(furan-2-yl)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is QHMYLWDSXKQZOL-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-2-24-18(23)16-13(14-9-6-10-25-14)11-15(21)20(16)19-17(22)12-7-4-3-5-8-12/h3-10,13,16H,2,11H2,1H3,(H,19,22)/t13-,16+/m0/s1.
What are the key properties of ethyl (2R,3R)-1-benzamido-3-(furan-2-yl)-5-oxopyrrolidine-2-carboxylate?
ethyl (2R,3R)-1-benzamido-3-(furan-2-yl)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 342.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-1-benzamido-3-(furan-2-yl)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 71581369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).