(2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate

C20H33NO5 — CID 112758569

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate
SMILESCCCCCCCCCCCCCC(=O)CC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H33NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(22)16-20(25)26-21-18(23)14-15-19(21)24/h2-16H2,1H3
InChIKeyBCVYXLBTOZZWDP-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.25
Rot. Bonds15

About (2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate

(2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate (PubChem CID 112758569) has the molecular formula C20H33NO5 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate
PubChem CID112758569
Molecular FormulaC20H33NO5
Molecular Weight367.49 g/mol
Exact Mass367.24
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate
SMILESCCCCCCCCCCCCCC(=O)CC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H33NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(22)16-20(25)26-21-18(23)14-15-19(21)24/h2-16H2,1H3
InChIKeyBCVYXLBTOZZWDP-UHFFFAOYSA-N
XLogP4.25
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) (Z)-docos-13-enoate
CID 6443861
8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate
CID 176740436
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl)oxycarbonyl heptadecanoate
CID 87411738
(2,5-dioxopyrrolidin-1-yl) undecanoate;pyrrole-2,5-dione
CID 174768072
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242
5-(2,5-dioxopyrrolidin-1-yl)oxy-2-(octadecanoylamino)-5-oxopentanoic acid
CID 170653243
bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-(hexadecanoylamino)pentanedioate
CID 174768500
copper methyl 3-oxoicosanoate
CID 158027661
(2,5-dioxopyrrolidin-1-yl) 4-(didodecylamino)-4-oxobutanoate
CID 102377713
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate (CID 112758569) is (2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate is CCCCCCCCCCCCCC(=O)CC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate?
The InChIKey is BCVYXLBTOZZWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(22)16-20(25)26-21-18(23)14-15-19(21)24/h2-16H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate?
(2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate has a molecular weight of 367.49 g/mol, XLogP of 4.25, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate is sourced from PubChem (CID 112758569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).