(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate

C15H16N2O9 — CID 78323016

IUPAC(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate
SMILESO=C(CCCCN1C(=O)C=CC1=O)OCOC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H16N2O9/c18-10-4-5-11(19)16(10)8-2-1-3-14(22)24-9-25-15(23)26-17-12(20)6-7-13(17)21/h4-5H,1-3,6-9H2
InChIKeyQVHXWFSPODFCHS-UHFFFAOYSA-N
MW368.30 g/mol
LogP-0.20
Rot. Bonds8

About (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate

(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate (PubChem CID 78323016) has the molecular formula C15H16N2O9 and a molecular weight of 368.30 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate
PubChem CID78323016
Molecular FormulaC15H16N2O9
Molecular Weight368.30 g/mol
Exact Mass368.09
IUPAC Name(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate
SMILESO=C(CCCCN1C(=O)C=CC1=O)OCOC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H16N2O9/c18-10-4-5-11(19)16(10)8-2-1-3-14(22)24-9-25-15(23)26-17-12(20)6-7-13(17)21/h4-5H,1-3,6-9H2
InChIKeyQVHXWFSPODFCHS-UHFFFAOYSA-N
XLogP-0.20
TPSA136.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2,5-dioxopyrrolidin-1-yl 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)pentanoate
CID 10040074
(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 78323014
(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 78323015
(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 78323017
1-(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 78323018
(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate
CID 78323332
(2-Oxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate
CID 89936873
1-(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate
CID 90373077
[1-(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxy-2-methylpropyl] 5-(2,5-dioxopyrrol-1-yl)pentanoate
CID 90373189
1-(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxybutyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 90373391
1-(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxybutyl 5-(2,5-dioxopyrrol-1-yl)pentanoate
CID 90373483
1-(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 90373484

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate (CID 78323016) is (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate is O=C(CCCCN1C(=O)C=CC1=O)OCOC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate?
The InChIKey is QVHXWFSPODFCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O9/c18-10-4-5-11(19)16(10)8-2-1-3-14(22)24-9-25-15(23)26-17-12(20)6-7-13(17)21/h4-5H,1-3,6-9H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate?
(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate has a molecular weight of 368.30 g/mol, XLogP of -0.20, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate is sourced from PubChem (CID 78323016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).