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

C16H18N2O9 — CID 90373077

IUPAC1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate
SMILESCC(OC(=O)CCCCN1C(=O)C=CC1=O)OC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C16H18N2O9/c1-10(26-16(24)27-18-13(21)7-8-14(18)22)25-15(23)4-2-3-9-17-11(19)5-6-12(17)20/h5-6,10H,2-4,7-9H2,1H3
InChIKeyFOCSDWYVZYQAKT-UHFFFAOYSA-N
MW382.33 g/mol
LogP0.19
Rot. Bonds8

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

1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate (PubChem CID 90373077) has the molecular formula C16H18N2O9 and a molecular weight of 382.33 g/mol. Its IUPAC name is 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate.

Molecular Properties

Compound Name1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate
PubChem CID90373077
Molecular FormulaC16H18N2O9
Molecular Weight382.33 g/mol
Exact Mass382.10
IUPAC Name1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate
SMILESCC(OC(=O)CCCCN1C(=O)C=CC1=O)OC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C16H18N2O9/c1-10(26-16(24)27-18-13(21)7-8-14(18)22)25-15(23)4-2-3-9-17-11(19)5-6-12(17)20/h5-6,10H,2-4,7-9H2,1H3
InChIKeyFOCSDWYVZYQAKT-UHFFFAOYSA-N
XLogP0.19
TPSA136.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 50.19
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate?
The IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate (CID 90373077) is 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate.
What is the SMILES notation for 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate?
The canonical SMILES for 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate is CC(OC(=O)CCCCN1C(=O)C=CC1=O)OC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate?
The InChIKey is FOCSDWYVZYQAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O9/c1-10(26-16(24)27-18-13(21)7-8-14(18)22)25-15(23)4-2-3-9-17-11(19)5-6-12(17)20/h5-6,10H,2-4,7-9H2,1H3.
What are the key properties of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate?
1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate has a molecular weight of 382.33 g/mol, XLogP of 0.19, 8 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 5-(2,5-dioxopyrrol-1-yl)pentanoate is sourced from PubChem (CID 90373077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).