(2,5-dihydroxypyrrol-1-yl) 2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetate

C20H21N3O8 — CID 123379665

About (2,5-dihydroxypyrrol-1-yl) 2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetate

(2,5-dihydroxypyrrol-1-yl) 2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetate (PubChem CID 123379665) has the molecular formula C20H21N3O8 and a molecular weight of 431.40 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetate.

Molecular Properties

• Compound Name: (2,5-dihydroxypyrrol-1-yl) 2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetate
• PubChem CID: 123379665
• Molecular Formula: C20H21N3O8
• Molecular Weight: 431.40 g/mol
• Exact Mass: 431.13
• IUPAC Name: (2,5-dihydroxypyrrol-1-yl) 2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetate
• SMILES: O=C(COCC(=O)On1c(O)ccc1O)Nc1ccc(CCC(=O)N2CCC2=O)cc1
• InChI: InChI=1S/C20H21N3O8/c24-15(11-30-12-20(29)31-23-18(27)7-8-19(23)28)21-14-4-1-13(2-5-14)3-6-16(25)22-10-9-17(22)26/h1-2,4-5,7-8,27-28H,3,6,9-12H2,(H,21,24)
• InChIKey: HDSJFHNHTXMYAH-UHFFFAOYSA-N
• XLogP: 0.20
• TPSA: 147.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.40
LogP ≤ 5	0.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetate?

The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetate (CID 123379665) is (2,5-dihydroxypyrrol-1-yl) 2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetate.

What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetate?

The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetate is O=C(COCC(=O)On1c(O)ccc1O)Nc1ccc(CCC(=O)N2CCC2=O)cc1.

What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetate?

The InChIKey is HDSJFHNHTXMYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O8/c24-15(11-30-12-20(29)31-23-18(27)7-8-19(23)28)21-14-4-1-13(2-5-14)3-6-16(25)22-10-9-17(22)26/h1-2,4-5,7-8,27-28H,3,6,9-12H2,(H,21,24).

What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetate?

(2,5-dihydroxypyrrol-1-yl) 2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetate has a molecular weight of 431.40 g/mol, XLogP of 0.20, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dihydroxypyrrol-1-yl) 2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetate is sourced from PubChem (CID 123379665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).