1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 4-(2,5-dioxopyrrol-1-yl)butanoate

C15H16N2O9 — CID 90373466

IUPAC1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 4-(2,5-dioxopyrrol-1-yl)butanoate
SMILESCC(OC(=O)CCCN1C(=O)C=CC1=O)OC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H16N2O9/c1-9(25-15(23)26-17-12(20)6-7-13(17)21)24-14(22)3-2-8-16-10(18)4-5-11(16)19/h4-5,9H,2-3,6-8H2,1H3
InChIKeyBINKUOXULMFQPH-UHFFFAOYSA-N
MW368.30 g/mol
LogP-0.20
Rot. Bonds7

About 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 4-(2,5-dioxopyrrol-1-yl)butanoate

1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 4-(2,5-dioxopyrrol-1-yl)butanoate (PubChem CID 90373466) has the molecular formula C15H16N2O9 and a molecular weight of 368.30 g/mol. Its IUPAC name is 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 4-(2,5-dioxopyrrol-1-yl)butanoate.

Molecular Properties

Compound Name1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 4-(2,5-dioxopyrrol-1-yl)butanoate
PubChem CID90373466
Molecular FormulaC15H16N2O9
Molecular Weight368.30 g/mol
Exact Mass368.09
IUPAC Name1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 4-(2,5-dioxopyrrol-1-yl)butanoate
SMILESCC(OC(=O)CCCN1C(=O)C=CC1=O)OC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H16N2O9/c1-9(25-15(23)26-17-12(20)6-7-13(17)21)24-14(22)3-2-8-16-10(18)4-5-11(16)19/h4-5,9H,2-3,6-8H2,1H3
InChIKeyBINKUOXULMFQPH-UHFFFAOYSA-N
XLogP-0.20
TPSA136.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 4-(2,5-dioxopyrrol-1-yl)butanoate?
The IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 4-(2,5-dioxopyrrol-1-yl)butanoate (CID 90373466) is 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 4-(2,5-dioxopyrrol-1-yl)butanoate.
What is the SMILES notation for 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 4-(2,5-dioxopyrrol-1-yl)butanoate?
The canonical SMILES for 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 4-(2,5-dioxopyrrol-1-yl)butanoate is CC(OC(=O)CCCN1C(=O)C=CC1=O)OC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 4-(2,5-dioxopyrrol-1-yl)butanoate?
The InChIKey is BINKUOXULMFQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O9/c1-9(25-15(23)26-17-12(20)6-7-13(17)21)24-14(22)3-2-8-16-10(18)4-5-11(16)19/h4-5,9H,2-3,6-8H2,1H3.
What are the key properties of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 4-(2,5-dioxopyrrol-1-yl)butanoate?
1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 4-(2,5-dioxopyrrol-1-yl)butanoate has a molecular weight of 368.30 g/mol, XLogP of -0.20, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 4-(2,5-dioxopyrrol-1-yl)butanoate is sourced from PubChem (CID 90373466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).