[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-methylamino]-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]phosphinic acid

C15H21N4O8P — CID 118423985

IUPAC[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-methylamino]-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]phosphinic acid
SMILESCN(CCC(=O)ON1C(=O)CCC1=O)P(=O)(O)N(C)CCN1C(=O)C=CC1=O
InChIInChI=1S/C15H21N4O8P/c1-16(8-7-15(24)27-19-13(22)5-6-14(19)23)28(25,26)17(2)9-10-18-11(20)3-4-12(18)21/h3-4H,5-10H2,1-2H3,(H,25,26)
InChIKeyXYAUPJUEMGEIGI-UHFFFAOYSA-N
MW416.33 g/mol
LogP-1.13
Rot. Bonds9

About [[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-methylamino]-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]phosphinic acid

[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-methylamino]-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]phosphinic acid (PubChem CID 118423985) has the molecular formula C15H21N4O8P and a molecular weight of 416.33 g/mol. Its IUPAC name is [[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-methylamino]-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]phosphinic acid.

Molecular Properties

Compound Name[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-methylamino]-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]phosphinic acid
PubChem CID118423985
Molecular FormulaC15H21N4O8P
Molecular Weight416.33 g/mol
Exact Mass416.11
IUPAC Name[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-methylamino]-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]phosphinic acid
SMILESCN(CCC(=O)ON1C(=O)CCC1=O)P(=O)(O)N(C)CCN1C(=O)C=CC1=O
InChIInChI=1S/C15H21N4O8P/c1-16(8-7-15(24)27-19-13(22)5-6-14(19)23)28(25,26)17(2)9-10-18-11(20)3-4-12(18)21/h3-4H,5-10H2,1-2H3,(H,25,26)
InChIKeyXYAUPJUEMGEIGI-UHFFFAOYSA-N
XLogP-1.13
TPSA144.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.33
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 90178635
CID 90178635
CID 118342136
CID 118342136
CID 118416522
CID 118416522
CID 118416554
CID 118416554
CID 118416566
CID 118416566
CID 118426385
CID 118426385
CID 118426424
CID 118426424
CID 118426452
CID 118426452
CID 134451497
CID 134451497
CID 134451503
CID 134451503
CID 134451504
CID 134451504
CID 138606231
CID 138606231

Frequently Asked Questions

What is the IUPAC name of [[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-methylamino]-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]phosphinic acid?
The IUPAC name of [[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-methylamino]-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]phosphinic acid (CID 118423985) is [[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-methylamino]-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]phosphinic acid.
What is the SMILES notation for [[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-methylamino]-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]phosphinic acid?
The canonical SMILES for [[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-methylamino]-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]phosphinic acid is CN(CCC(=O)ON1C(=O)CCC1=O)P(=O)(O)N(C)CCN1C(=O)C=CC1=O.
What is the InChIKey of [[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-methylamino]-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]phosphinic acid?
The InChIKey is XYAUPJUEMGEIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N4O8P/c1-16(8-7-15(24)27-19-13(22)5-6-14(19)23)28(25,26)17(2)9-10-18-11(20)3-4-12(18)21/h3-4H,5-10H2,1-2H3,(H,25,26).
What are the key properties of [[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-methylamino]-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]phosphinic acid?
[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-methylamino]-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]phosphinic acid has a molecular weight of 416.33 g/mol, XLogP of -1.13, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-methylamino]-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]phosphinic acid is sourced from PubChem (CID 118423985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).