[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonous acid

C8H12NO6P — CID 144670069

IUPAC[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonous acid
SMILESO=C(CCCP(O)O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H12NO6P/c10-6-3-4-7(11)9(6)15-8(12)2-1-5-16(13)14/h13-14H,1-5H2
InChIKeyXZCDBHWHKYWJFQ-UHFFFAOYSA-N
MW249.16 g/mol
LogP-0.33
Rot. Bonds5

About [4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonous acid

[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonous acid (PubChem CID 144670069) has the molecular formula C8H12NO6P and a molecular weight of 249.16 g/mol. Its IUPAC name is [4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonous acid.

Molecular Properties

Compound Name[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonous acid
PubChem CID144670069
Molecular FormulaC8H12NO6P
Molecular Weight249.16 g/mol
Exact Mass249.04
IUPAC Name[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonous acid
SMILESO=C(CCCP(O)O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H12NO6P/c10-6-3-4-7(11)9(6)15-8(12)2-1-5-16(13)14/h13-14H,1-5H2
InChIKeyXZCDBHWHKYWJFQ-UHFFFAOYSA-N
XLogP-0.33
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonous acid?
The IUPAC name of [4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonous acid (CID 144670069) is [4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonous acid.
What is the SMILES notation for [4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonous acid?
The canonical SMILES for [4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonous acid is O=C(CCCP(O)O)ON1C(=O)CCC1=O.
What is the InChIKey of [4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonous acid?
The InChIKey is XZCDBHWHKYWJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NO6P/c10-6-3-4-7(11)9(6)15-8(12)2-1-5-16(13)14/h13-14H,1-5H2.
What are the key properties of [4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonous acid?
[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonous acid has a molecular weight of 249.16 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonous acid is sourced from PubChem (CID 144670069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).