(2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate

C20H24N6O10 — CID 89369343

About (2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate (PubChem CID 89369343) has the molecular formula C20H24N6O10 and a molecular weight of 508.44 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate
• PubChem CID: 89369343
• Molecular Formula: C20H24N6O10
• Molecular Weight: 508.44 g/mol
• Exact Mass: 508.16
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate
• SMILES: O=C(CCN1C(=O)C=CC1=O)NCC(=O)NCC(=O)NCC(=O)NCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C20H24N6O10/c27-12(6-8-25-16(31)1-2-17(25)32)22-10-14(29)24-11-15(30)23-9-13(28)21-7-5-20(35)36-26-18(33)3-4-19(26)34/h1-2H,3-11H2,(H,21,28)(H,22,27)(H,23,30)(H,24,29)
• InChIKey: VFVCMZNDCSMBTD-UHFFFAOYSA-N
• XLogP: -4.24
• TPSA: 217.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.44
LogP ≤ 5	-4.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate (CID 89369343) is (2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate is O=C(CCN1C(=O)C=CC1=O)NCC(=O)NCC(=O)NCC(=O)NCCC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate?

The InChIKey is VFVCMZNDCSMBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O10/c27-12(6-8-25-16(31)1-2-17(25)32)22-10-14(29)24-11-15(30)23-9-13(28)21-7-5-20(35)36-26-18(33)3-4-19(26)34/h1-2H,3-11H2,(H,21,28)(H,22,27)(H,23,30)(H,24,29).

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate?

(2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate has a molecular weight of 508.44 g/mol, XLogP of -4.24, 13 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate is sourced from PubChem (CID 89369343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).