About (2,5-dioxopyrrolidin-1-yl) 3-[bis[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]phosphoryl-methylamino]propanoate
(2,5-dioxopyrrolidin-1-yl) 3-[bis[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]phosphoryl-methylamino]propanoate (PubChem CID 118423993) has the molecular formula C24H31N4O11P
and a molecular weight of 582.50 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[bis[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]phosphoryl-methylamino]propanoate.
Molecular Properties
| Compound Name | (2,5-dioxopyrrolidin-1-yl) 3-[bis[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]phosphoryl-methylamino]propanoate |
|---|
| PubChem CID | 118423993 |
|---|
| Molecular Formula | C24H31N4O11P |
|---|
| Molecular Weight | 582.50 g/mol |
|---|
| Exact Mass | 582.17 |
|---|
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[bis[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]phosphoryl-methylamino]propanoate |
|---|
| SMILES | CN(CCC(=O)ON1C(=O)CCC1=O)P(=O)(CCOCCN1C(=O)C=CC1=O)CCOCCN1C(=O)C=CC1=O |
|---|
| InChI | InChI=1S/C24H31N4O11P/c1-25(9-8-24(35)39-28-22(33)6-7-23(28)34)40(36,16-14-37-12-10-26-18(29)2-3-19(26)30)17-15-38-13-11-27-20(31)4-5-21(27)32/h2-5H,6-17H2,1H3 |
|---|
| InChIKey | VMPFCYFKTFIFBX-UHFFFAOYSA-N |
|---|
| XLogP | -0.92 |
|---|
| TPSA | 177.21 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 11 |
|---|
| Rotatable Bonds | 17 |
|---|
| Heavy Atoms | 40 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 582.50 |
| LogP ≤ 5 | -0.92 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
|---|
Analyze (2,5-dioxopyrrolidin-1-yl) 3-[bis[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]phosphoryl-methylamino]propanoate with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[bis[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]phosphoryl-methylamino]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[bis[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]phosphoryl-methylamino]propanoate (CID 118423993) is (2,5-dioxopyrrolidin-1-yl) 3-[bis[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]phosphoryl-methylamino]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[bis[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]phosphoryl-methylamino]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[bis[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]phosphoryl-methylamino]propanoate is CN(CCC(=O)ON1C(=O)CCC1=O)P(=O)(CCOCCN1C(=O)C=CC1=O)CCOCCN1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[bis[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]phosphoryl-methylamino]propanoate?
The InChIKey is VMPFCYFKTFIFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N4O11P/c1-25(9-8-24(35)39-28-22(33)6-7-23(28)34)40(36,16-14-37-12-10-26-18(29)2-3-19(26)30)17-15-38-13-11-27-20(31)4-5-21(27)32/h2-5H,6-17H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[bis[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]phosphoryl-methylamino]propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-[bis[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]phosphoryl-methylamino]propanoate has a molecular weight of 582.50 g/mol, XLogP of -0.92, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-[bis[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]phosphoryl-methylamino]propanoate is sourced from PubChem (CID 118423993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).