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

C17H22N2O6 — CID 138692871

IUPAC(2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate
SMILESCC(C)(CN1C(=O)C=CC1=O)CC(C)(C)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C17H22N2O6/c1-16(2,10-18-11(20)5-6-12(18)21)9-17(3,4)15(24)25-19-13(22)7-8-14(19)23/h5-6H,7-10H2,1-4H3
InChIKeyMSNRRWBKAAKBRM-UHFFFAOYSA-N
MW350.37 g/mol
LogP0.96
Rot. Bonds6

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

(2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate (PubChem CID 138692871) has the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate
PubChem CID138692871
Molecular FormulaC17H22N2O6
Molecular Weight350.37 g/mol
Exact Mass350.15
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate
SMILESCC(C)(CN1C(=O)C=CC1=O)CC(C)(C)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C17H22N2O6/c1-16(2,10-18-11(20)5-6-12(18)21)9-17(3,4)15(24)25-19-13(22)7-8-14(19)23/h5-6H,7-10H2,1-4H3
InChIKeyMSNRRWBKAAKBRM-UHFFFAOYSA-N
XLogP0.96
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 50.96
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) 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate (CID 138692871) is (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate is CC(C)(CN1C(=O)C=CC1=O)CC(C)(C)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate?
The InChIKey is MSNRRWBKAAKBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6/c1-16(2,10-18-11(20)5-6-12(18)21)9-17(3,4)15(24)25-19-13(22)7-8-14(19)23/h5-6H,7-10H2,1-4H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate?
(2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate has a molecular weight of 350.37 g/mol, XLogP of 0.96, 6 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) 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate is sourced from PubChem (CID 138692871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).