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

C16H20N2O6 — CID 129125940

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2,4-trimethylpentanoate
SMILESCC(C)(CC(C)(C)N1C(=O)C=CC1=O)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C16H20N2O6/c1-15(2,14(23)24-18-12(21)7-8-13(18)22)9-16(3,4)17-10(19)5-6-11(17)20/h5-6H,7-9H2,1-4H3
InChIKeyOOUZFMIPDKWEHC-UHFFFAOYSA-N
MW336.34 g/mol
LogP0.71
Rot. Bonds5

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

(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2,4-trimethylpentanoate (PubChem CID 129125940) has the molecular formula C16H20N2O6 and a molecular weight of 336.34 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2,4-trimethylpentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2,4-trimethylpentanoate
PubChem CID129125940
Molecular FormulaC16H20N2O6
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2,4-trimethylpentanoate
SMILESCC(C)(CC(C)(C)N1C(=O)C=CC1=O)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C16H20N2O6/c1-15(2,14(23)24-18-12(21)7-8-13(18)22)9-16(3,4)17-10(19)5-6-11(17)20/h5-6H,7-9H2,1-4H3
InChIKeyOOUZFMIPDKWEHC-UHFFFAOYSA-N
XLogP0.71
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-Dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,4-dimethylpentanoate
CID 132027314
(2,5-Dioxopyrrolidin-1-yl) 4-[[4-(2,5-dioxopyrrol-1-yl)-2,2,4-trimethylpentanoyl]amino]-2-methylpentanoate
CID 132028316
(2,5-Dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylhexanoate
CID 134355891
(2,5-Dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate
CID 134355892
(2,5-Dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoate
CID 134505174
(2,5-Dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethylpentanoate
CID 138692871
(2,5-Dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoate
CID 147365375
1-[5-(2,5-Dioxopyrrolidin-1-yl)oxy-2,4,4-trimethyl-5-phosphanylidenepentan-2-yl]pyrrole-2,5-dione
CID 156509853
(2,5-Dioxopyrrolidin-1-yl) 2,2-dimethyl-4-(1-methyl-2,5-dioxopyrrol-1-ium-1-yl)pentanoate
CID 163447391
(2,5-Dioxopyrrolidin-1-yl) 4-[[4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylpentanoyl]amino]-2,2,4-trimethylpentanoate
CID 166942001

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2,4-trimethylpentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2,4-trimethylpentanoate (CID 129125940) is (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2,4-trimethylpentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2,4-trimethylpentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2,4-trimethylpentanoate is CC(C)(CC(C)(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)-2,2,4-trimethylpentanoate?
The InChIKey is OOUZFMIPDKWEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6/c1-15(2,14(23)24-18-12(21)7-8-13(18)22)9-16(3,4)17-10(19)5-6-11(17)20/h5-6H,7-9H2,1-4H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2,4-trimethylpentanoate?
(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-2,2,4-trimethylpentanoate has a molecular weight of 336.34 g/mol, XLogP of 0.71, 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)-2,2,4-trimethylpentanoate is sourced from PubChem (CID 129125940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).