5-[[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid

C18H20N2O6 — CID 125132033

About 5-[[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 125132033) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is 5-[[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
• PubChem CID: 125132033
• Molecular Formula: C18H20N2O6
• Molecular Weight: 360.37 g/mol
• Exact Mass: 360.13
• IUPAC Name: 5-[[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
• SMILES: Cc1oc(CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1C(=O)O
• InChI: InChI=1S/C18H20N2O6/c1-11-15(18(23)24)7-14(26-11)9-19(2)17(22)12-6-16(21)20(8-12)10-13-4-3-5-25-13/h3-5,7,12H,6,8-10H2,1-2H3,(H,23,24)/t12-/m1/s1
• InChIKey: CZQIFBCCKZOGLH-GFCCVEGCSA-N
• XLogP: 1.89
• TPSA: 104.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.37
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?

The IUPAC name of 5-[[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 125132033) is 5-[[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid.

What is the SMILES notation for 5-[[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?

The canonical SMILES for 5-[[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1C(=O)O.

What is the InChIKey of 5-[[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?

The InChIKey is CZQIFBCCKZOGLH-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-11-15(18(23)24)7-14(26-11)9-19(2)17(22)12-6-16(21)20(8-12)10-13-4-3-5-25-13/h3-5,7,12H,6,8-10H2,1-2H3,(H,23,24)/t12-/m1/s1.

What are the key properties of 5-[[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?

5-[[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 360.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 125132033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).