(2,5-dioxopyrrolidin-1-yl) 8-oxo-8-(propylamino)octanoate

C15H24N2O5 — CID 88910449

IUPAC(2,5-dioxopyrrolidin-1-yl) 8-oxo-8-(propylamino)octanoate
SMILESCCCNC(=O)CCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H24N2O5/c1-2-11-16-12(18)7-5-3-4-6-8-15(21)22-17-13(19)9-10-14(17)20/h2-11H2,1H3,(H,16,18)
InChIKeyXRKCPDIHBUVTPJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.46
Rot. Bonds10

About (2,5-dioxopyrrolidin-1-yl) 8-oxo-8-(propylamino)octanoate

(2,5-dioxopyrrolidin-1-yl) 8-oxo-8-(propylamino)octanoate (PubChem CID 88910449) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 8-oxo-8-(propylamino)octanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 8-oxo-8-(propylamino)octanoate
PubChem CID88910449
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 8-oxo-8-(propylamino)octanoate
SMILESCCCNC(=O)CCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H24N2O5/c1-2-11-16-12(18)7-5-3-4-6-8-15(21)22-17-13(19)9-10-14(17)20/h2-11H2,1H3,(H,16,18)
InChIKeyXRKCPDIHBUVTPJ-UHFFFAOYSA-N
XLogP1.46
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 8-oxo-8-(propylamino)octanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 8-oxo-8-(propylamino)octanoate (CID 88910449) is (2,5-dioxopyrrolidin-1-yl) 8-oxo-8-(propylamino)octanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 8-oxo-8-(propylamino)octanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 8-oxo-8-(propylamino)octanoate is CCCNC(=O)CCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 8-oxo-8-(propylamino)octanoate?
The InChIKey is XRKCPDIHBUVTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-2-11-16-12(18)7-5-3-4-6-8-15(21)22-17-13(19)9-10-14(17)20/h2-11H2,1H3,(H,16,18).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 8-oxo-8-(propylamino)octanoate?
(2,5-dioxopyrrolidin-1-yl) 8-oxo-8-(propylamino)octanoate has a molecular weight of 312.37 g/mol, XLogP of 1.46, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 8-oxo-8-(propylamino)octanoate is sourced from PubChem (CID 88910449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).