(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoate

C14H16N2O6 — CID 134505174

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoate
SMILESCC(CC(C)N1C(=O)C=CC1=O)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H16N2O6/c1-8(7-9(2)15-10(17)3-4-11(15)18)14(21)22-16-12(19)5-6-13(16)20/h3-4,8-9H,5-7H2,1-2H3
InChIKeyZUQQUJQQDAVFTD-UHFFFAOYSA-N
MW308.29 g/mol
LogP-0.07
Rot. Bonds5

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

(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoate (PubChem CID 134505174) has the molecular formula C14H16N2O6 and a molecular weight of 308.29 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoate
PubChem CID134505174
Molecular FormulaC14H16N2O6
Molecular Weight308.29 g/mol
Exact Mass308.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoate
SMILESCC(CC(C)N1C(=O)C=CC1=O)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H16N2O6/c1-8(7-9(2)15-10(17)3-4-11(15)18)14(21)22-16-12(19)5-6-13(16)20/h3-4,8-9H,5-7H2,1-2H3
InChIKeyZUQQUJQQDAVFTD-UHFFFAOYSA-N
XLogP-0.07
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoate (CID 134505174) is (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoate is CC(CC(C)N1C(=O)C=CC1=O)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoate?
The InChIKey is ZUQQUJQQDAVFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O6/c1-8(7-9(2)15-10(17)3-4-11(15)18)14(21)22-16-12(19)5-6-13(16)20/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoate?
(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoate has a molecular weight of 308.29 g/mol, XLogP of -0.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoate is sourced from PubChem (CID 134505174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).