2-[4-[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-3-methyl-2-oxopiperazin-1-yl]acetic acid

C19H27N3O5 — CID 46982771

About 2-[4-[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-3-methyl-2-oxopiperazin-1-yl]acetic acid

2-[4-[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-3-methyl-2-oxopiperazin-1-yl]acetic acid (PubChem CID 46982771) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[4-[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-3-methyl-2-oxopiperazin-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[4-[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-3-methyl-2-oxopiperazin-1-yl]acetic acid
• PubChem CID: 46982771
• Molecular Formula: C19H27N3O5
• Molecular Weight: 377.44 g/mol
• Exact Mass: 377.20
• IUPAC Name: 2-[4-[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-3-methyl-2-oxopiperazin-1-yl]acetic acid
• SMILES: CCc1oc(C(=O)N2CCN(CC(=O)O)C(=O)C2C)cc1CN1CCCC1
• InChI: InChI=1S/C19H27N3O5/c1-3-15-14(11-20-6-4-5-7-20)10-16(27-15)19(26)22-9-8-21(12-17(23)24)18(25)13(22)2/h10,13H,3-9,11-12H2,1-2H3,(H,23,24)
• InChIKey: PQXZTDRSWHVACC-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 94.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.44
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-3-methyl-2-oxopiperazin-1-yl]acetic acid?

The IUPAC name of 2-[4-[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-3-methyl-2-oxopiperazin-1-yl]acetic acid (CID 46982771) is 2-[4-[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-3-methyl-2-oxopiperazin-1-yl]acetic acid.

What is the SMILES notation for 2-[4-[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-3-methyl-2-oxopiperazin-1-yl]acetic acid?

The canonical SMILES for 2-[4-[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-3-methyl-2-oxopiperazin-1-yl]acetic acid is CCc1oc(C(=O)N2CCN(CC(=O)O)C(=O)C2C)cc1CN1CCCC1.

What is the InChIKey of 2-[4-[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-3-methyl-2-oxopiperazin-1-yl]acetic acid?

The InChIKey is PQXZTDRSWHVACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-3-15-14(11-20-6-4-5-7-20)10-16(27-15)19(26)22-9-8-21(12-17(23)24)18(25)13(22)2/h10,13H,3-9,11-12H2,1-2H3,(H,23,24).

What are the key properties of 2-[4-[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-3-methyl-2-oxopiperazin-1-yl]acetic acid?

2-[4-[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-3-methyl-2-oxopiperazin-1-yl]acetic acid has a molecular weight of 377.44 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-3-methyl-2-oxopiperazin-1-yl]acetic acid is sourced from PubChem (CID 46982771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).