(2,5-dioxopyrrolidin-1-yl) pentadecanoate

C19H33NO4 — CID 13377057

IUPAC(2,5-dioxopyrrolidin-1-yl) pentadecanoate
SMILESCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(23)24-20-17(21)15-16-18(20)22/h2-16H2,1H3
InChIKeyYNTFRULGEWHTKY-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.68
Rot. Bonds14

About (2,5-dioxopyrrolidin-1-yl) pentadecanoate

(2,5-dioxopyrrolidin-1-yl) pentadecanoate (PubChem CID 13377057) has the molecular formula C19H33NO4 and a molecular weight of 339.48 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) pentadecanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) pentadecanoate
PubChem CID13377057
Molecular FormulaC19H33NO4
Molecular Weight339.48 g/mol
Exact Mass339.24
IUPAC Name(2,5-dioxopyrrolidin-1-yl) pentadecanoate
SMILESCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(23)24-20-17(21)15-16-18(20)22/h2-16H2,1H3
InChIKeyYNTFRULGEWHTKY-UHFFFAOYSA-N
XLogP4.68
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) pentadecanoate 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) (Z)-docos-13-enoate
CID 6443861
8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate
CID 176740436
(2,5-dioxopyrrolidin-1-yl) undecanoate;pyrrole-2,5-dione
CID 174768072
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate
CID 112758569
(2,5-dioxopyrrolidin-1-yl)oxycarbonyl heptadecanoate
CID 87411738
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156
tributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium
CID 102579235
(2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate
CID 90394451

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) pentadecanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) pentadecanoate (CID 13377057) is (2,5-dioxopyrrolidin-1-yl) pentadecanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) pentadecanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) pentadecanoate is CCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) pentadecanoate?
The InChIKey is YNTFRULGEWHTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(23)24-20-17(21)15-16-18(20)22/h2-16H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) pentadecanoate?
(2,5-dioxopyrrolidin-1-yl) pentadecanoate has a molecular weight of 339.48 g/mol, XLogP of 4.68, 14 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) pentadecanoate is sourced from PubChem (CID 13377057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).