(2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate

C8H12NO4P — CID 88947162

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate
SMILESO=C(CCCP)ON1C(=O)CCC1=O
InChIInChI=1S/C8H12NO4P/c10-6-3-4-7(11)9(6)13-8(12)2-1-5-14/h1-5,14H2
InChIKeyLIBWSMAHUWCFSK-UHFFFAOYSA-N
MW217.16 g/mol
LogP0.25
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate

(2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate (PubChem CID 88947162) has the molecular formula C8H12NO4P and a molecular weight of 217.16 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate
PubChem CID88947162
Molecular FormulaC8H12NO4P
Molecular Weight217.16 g/mol
Exact Mass217.05
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate
SMILESO=C(CCCP)ON1C(=O)CCC1=O
InChIInChI=1S/C8H12NO4P/c10-6-3-4-7(11)9(6)13-8(12)2-1-5-14/h1-5,14H2
InChIKeyLIBWSMAHUWCFSK-UHFFFAOYSA-N
XLogP0.25
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.16
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
CID 129055925
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutane-1-sulfonic acid
CID 90296712
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate (CID 88947162) is (2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate is O=C(CCCP)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate?
The InChIKey is LIBWSMAHUWCFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NO4P/c10-6-3-4-7(11)9(6)13-8(12)2-1-5-14/h1-5,14H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate?
(2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate has a molecular weight of 217.16 g/mol, XLogP of 0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate is sourced from PubChem (CID 88947162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).