(2,5-dioxopyrrolidin-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoate

C20H24N6O10 — CID 88856002

About (2,5-dioxopyrrolidin-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoate

(2,5-dioxopyrrolidin-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoate (PubChem CID 88856002) has the molecular formula C20H24N6O10 and a molecular weight of 508.44 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoate
• PubChem CID: 88856002
• Molecular Formula: C20H24N6O10
• Molecular Weight: 508.44 g/mol
• Exact Mass: 508.16
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoate
• SMILES: NC(=O)CNC(=O)CNC(=O)C(CCC(=O)ON1C(=O)CCC1=O)NC(=O)CCN1C(=O)C=CC1=O
• InChI: InChI=1S/C20H24N6O10/c21-12(27)9-22-14(29)10-23-20(35)11(1-6-19(34)36-26-17(32)4-5-18(26)33)24-13(28)7-8-25-15(30)2-3-16(25)31/h2-3,11H,1,4-10H2,(H2,21,27)(H,22,29)(H,23,35)(H,24,28)
• InChIKey: UUMCVSHXGGLGPE-UHFFFAOYSA-N
• XLogP: -4.11
• TPSA: 231.45 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	-4.11
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) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoate (CID 88856002) is (2,5-dioxopyrrolidin-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoate is NC(=O)CNC(=O)CNC(=O)C(CCC(=O)ON1C(=O)CCC1=O)NC(=O)CCN1C(=O)C=CC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoate?

The InChIKey is UUMCVSHXGGLGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O10/c21-12(27)9-22-14(29)10-23-20(35)11(1-6-19(34)36-26-17(32)4-5-18(26)33)24-13(28)7-8-25-15(30)2-3-16(25)31/h2-3,11H,1,4-10H2,(H2,21,27)(H,22,29)(H,23,35)(H,24,28).

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoate?

(2,5-dioxopyrrolidin-1-yl) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoate has a molecular weight of 508.44 g/mol, XLogP of -4.11, 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) 5-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoate is sourced from PubChem (CID 88856002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).