(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-2-[3-(2,5-dioxopyrrol-1-yl)propanoyl]hydrazinyl]propanoate

C21H23N5O11 — CID 166866915

About (2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-2-[3-(2,5-dioxopyrrol-1-yl)propanoyl]hydrazinyl]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-2-[3-(2,5-dioxopyrrol-1-yl)propanoyl]hydrazinyl]propanoate (PubChem CID 166866915) has the molecular formula C21H23N5O11 and a molecular weight of 521.44 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-2-[3-(2,5-dioxopyrrol-1-yl)propanoyl]hydrazinyl]propanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-2-[3-(2,5-dioxopyrrol-1-yl)propanoyl]hydrazinyl]propanoate
• PubChem CID: 166866915
• Molecular Formula: C21H23N5O11
• Molecular Weight: 521.44 g/mol
• Exact Mass: 521.14
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-2-[3-(2,5-dioxopyrrol-1-yl)propanoyl]hydrazinyl]propanoate
• SMILES: O=C(CCNN(CCC(=O)ON1C(=O)CCC1=O)C(=O)CCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C21H23N5O11/c27-13-1-2-14(28)23(13)11-8-15(29)24(12-9-21(35)37-26-18(32)5-6-19(26)33)22-10-7-20(34)36-25-16(30)3-4-17(25)31/h1-2,22H,3-12H2
• InChIKey: CSFCETBVAXHSRW-UHFFFAOYSA-N
• XLogP: -2.37
• TPSA: 197.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.44
LogP ≤ 5	-2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', '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-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-2-[3-(2,5-dioxopyrrol-1-yl)propanoyl]hydrazinyl]propanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-2-[3-(2,5-dioxopyrrol-1-yl)propanoyl]hydrazinyl]propanoate (CID 166866915) is (2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-2-[3-(2,5-dioxopyrrol-1-yl)propanoyl]hydrazinyl]propanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-2-[3-(2,5-dioxopyrrol-1-yl)propanoyl]hydrazinyl]propanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-2-[3-(2,5-dioxopyrrol-1-yl)propanoyl]hydrazinyl]propanoate is O=C(CCNN(CCC(=O)ON1C(=O)CCC1=O)C(=O)CCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-2-[3-(2,5-dioxopyrrol-1-yl)propanoyl]hydrazinyl]propanoate?

The InChIKey is CSFCETBVAXHSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O11/c27-13-1-2-14(28)23(13)11-8-15(29)24(12-9-21(35)37-26-18(32)5-6-19(26)33)22-10-7-20(34)36-25-16(30)3-4-17(25)31/h1-2,22H,3-12H2.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-2-[3-(2,5-dioxopyrrol-1-yl)propanoyl]hydrazinyl]propanoate?

(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-2-[3-(2,5-dioxopyrrol-1-yl)propanoyl]hydrazinyl]propanoate has a molecular weight of 521.44 g/mol, XLogP of -2.37, 12 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-2-[3-(2,5-dioxopyrrol-1-yl)propanoyl]hydrazinyl]propanoate is sourced from PubChem (CID 166866915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).