(2,5-dioxopyrrolidin-1-yl) 3-[bis[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]phosphoryl-methylamino]propanoate

C24H31N4O11P — CID 118423993

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[bis[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]phosphoryl-methylamino]propanoate
SMILESCN(CCC(=O)ON1C(=O)CCC1=O)P(=O)(CCOCCN1C(=O)C=CC1=O)CCOCCN1C(=O)C=CC1=O
InChIInChI=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
InChIKeyVMPFCYFKTFIFBX-UHFFFAOYSA-N
MW582.50 g/mol
LogP-0.92
Rot. Bonds17

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 CID118423993
Molecular FormulaC24H31N4O11P
Molecular Weight582.50 g/mol
Exact Mass582.17
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[bis[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]phosphoryl-methylamino]propanoate
SMILESCN(CCC(=O)ON1C(=O)CCC1=O)P(=O)(CCOCCN1C(=O)C=CC1=O)CCOCCN1C(=O)C=CC1=O
InChIInChI=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
InChIKeyVMPFCYFKTFIFBX-UHFFFAOYSA-N
XLogP-0.92
TPSA177.21 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.50
LogP ≤ 5-0.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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'}

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Related Compounds

(2,5-Dioxopyrrolidin-1-yl) 3-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]phosphoryl-methylamino]propanoate
CID 118416566
(2,5-Dioxopyrrol-1-yl) 3-[[2-(2-azidoethoxy)ethyl-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phosphoryl]-methylamino]propanoate
CID 118423955
(2,5-Dioxopyrrolidin-1-yl) 3-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl]phosphoryl-methylamino]propanoate
CID 118426385

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).