[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate

C21H23N3O6 — CID 7579869

About [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate

[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 7579869) has the molecular formula C21H23N3O6 and a molecular weight of 413.43 g/mol. Its IUPAC name is [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

• Compound Name: [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
• PubChem CID: 7579869
• Molecular Formula: C21H23N3O6
• Molecular Weight: 413.43 g/mol
• Exact Mass: 413.16
• IUPAC Name: [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
• SMILES: CCNC(=O)NC(=O)[C@@H](OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1
• InChI: InChI=1S/C21H23N3O6/c1-2-22-21(28)23-19(26)18(14-7-4-3-5-8-14)30-20(27)15-11-17(25)24(12-15)13-16-9-6-10-29-16/h3-10,15,18H,2,11-13H2,1H3,(H2,22,23,26,28)/t15-,18-/m0/s1
• InChIKey: WAAHEAIULIWZGA-YJBOKZPZSA-N
• XLogP: 1.76
• TPSA: 117.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.43
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?

The IUPAC name of [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate (CID 7579869) is [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate.

What is the SMILES notation for [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?

The canonical SMILES for [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate is CCNC(=O)NC(=O)[C@@H](OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1.

What is the InChIKey of [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?

The InChIKey is WAAHEAIULIWZGA-YJBOKZPZSA-N. The full InChI is InChI=1S/C21H23N3O6/c1-2-22-21(28)23-19(26)18(14-7-4-3-5-8-14)30-20(27)15-11-17(25)24(12-15)13-16-9-6-10-29-16/h3-10,15,18H,2,11-13H2,1H3,(H2,22,23,26,28)/t15-,18-/m0/s1.

What are the key properties of [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?

[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 413.43 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 7579869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).