(2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(2-methoxyethoxy)ethylsulfonyl]amino]propanoate

C18H25N3O10S — CID 170071992

About (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(2-methoxyethoxy)ethylsulfonyl]amino]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(2-methoxyethoxy)ethylsulfonyl]amino]propanoate (PubChem CID 170071992) has the molecular formula C18H25N3O10S and a molecular weight of 475.48 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(2-methoxyethoxy)ethylsulfonyl]amino]propanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(2-methoxyethoxy)ethylsulfonyl]amino]propanoate
• PubChem CID: 170071992
• Molecular Formula: C18H25N3O10S
• Molecular Weight: 475.48 g/mol
• Exact Mass: 475.13
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(2-methoxyethoxy)ethylsulfonyl]amino]propanoate
• SMILES: COCCOCCS(=O)(=O)N(CCC(=O)ON1C(=O)CCC1=O)CCN1C(=O)C=CC1=O
• InChI: InChI=1S/C18H25N3O10S/c1-29-10-11-30-12-13-32(27,28)19(8-9-20-14(22)2-3-15(20)23)7-6-18(26)31-21-16(24)4-5-17(21)25/h2-3H,4-13H2,1H3
• InChIKey: OSVAOJAXADULBI-UHFFFAOYSA-N
• XLogP: -1.80
• TPSA: 156.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.48
LogP ≤ 5	-1.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(2-methoxyethoxy)ethylsulfonyl]amino]propanoate (CID 170071992) is (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(2-methoxyethoxy)ethylsulfonyl]amino]propanoate.

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

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(2-methoxyethoxy)ethylsulfonyl]amino]propanoate is COCCOCCS(=O)(=O)N(CCC(=O)ON1C(=O)CCC1=O)CCN1C(=O)C=CC1=O.

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

The InChIKey is OSVAOJAXADULBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O10S/c1-29-10-11-30-12-13-32(27,28)19(8-9-20-14(22)2-3-15(20)23)7-6-18(26)31-21-16(24)4-5-17(21)25/h2-3H,4-13H2,1H3.

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

(2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(2-methoxyethoxy)ethylsulfonyl]amino]propanoate has a molecular weight of 475.48 g/mol, XLogP of -1.80, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[2-(2-methoxyethoxy)ethylsulfonyl]amino]propanoate is sourced from PubChem (CID 170071992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).