(2,5-dioxopyrrolidin-1-yl) 8-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]octanoate

C19H25N3O7 — CID 87218236

IUPAC(2,5-dioxopyrrolidin-1-yl) 8-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]octanoate
SMILESO=C(CCN1C(=O)C=CC1=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H25N3O7/c23-14(11-13-21-15(24)7-8-16(21)25)20-12-5-3-1-2-4-6-19(28)29-22-17(26)9-10-18(22)27/h7-8H,1-6,9-13H2,(H,20,23)
InChIKeyGNJHFZCUGPNWAT-UHFFFAOYSA-N
MW407.42 g/mol
LogP0.37
Rot. Bonds12

About (2,5-dioxopyrrolidin-1-yl) 8-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]octanoate

(2,5-dioxopyrrolidin-1-yl) 8-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]octanoate (PubChem CID 87218236) has the molecular formula C19H25N3O7 and a molecular weight of 407.42 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 8-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]octanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 8-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]octanoate
PubChem CID87218236
Molecular FormulaC19H25N3O7
Molecular Weight407.42 g/mol
Exact Mass407.17
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 8-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]octanoate
SMILESO=C(CCN1C(=O)C=CC1=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H25N3O7/c23-14(11-13-21-15(24)7-8-16(21)25)20-12-5-3-1-2-4-6-19(28)29-22-17(26)9-10-18(22)27/h7-8H,1-6,9-13H2,(H,20,23)
InChIKeyGNJHFZCUGPNWAT-UHFFFAOYSA-N
XLogP0.37
TPSA130.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]octanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 8-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]octanoate (CID 87218236) is (2,5-dioxopyrrolidin-1-yl) 8-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]octanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 8-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]octanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 8-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]octanoate is O=C(CCN1C(=O)C=CC1=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 8-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]octanoate?
The InChIKey is GNJHFZCUGPNWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O7/c23-14(11-13-21-15(24)7-8-16(21)25)20-12-5-3-1-2-4-6-19(28)29-22-17(26)9-10-18(22)27/h7-8H,1-6,9-13H2,(H,20,23).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 8-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]octanoate?
(2,5-dioxopyrrolidin-1-yl) 8-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]octanoate has a molecular weight of 407.42 g/mol, XLogP of 0.37, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 8-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]octanoate is sourced from PubChem (CID 87218236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).