(2,5-dioxopyrrolidin-1-yl) 1-hydroxy-2,2,3,5-tetramethylpyrrolidine-3-carboxylate

C13H20N2O5 — CID 87631678

IUPAC(2,5-dioxopyrrolidin-1-yl) 1-hydroxy-2,2,3,5-tetramethylpyrrolidine-3-carboxylate
SMILESCC1CC(C)(C(=O)ON2C(=O)CCC2=O)C(C)(C)N1O
InChIInChI=1S/C13H20N2O5/c1-8-7-13(4,12(2,3)15(8)19)11(18)20-14-9(16)5-6-10(14)17/h8,19H,5-7H2,1-4H3
InChIKeyYCVNDEVHEOCGNF-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.86
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) 1-hydroxy-2,2,3,5-tetramethylpyrrolidine-3-carboxylate

(2,5-dioxopyrrolidin-1-yl) 1-hydroxy-2,2,3,5-tetramethylpyrrolidine-3-carboxylate (PubChem CID 87631678) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 1-hydroxy-2,2,3,5-tetramethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 1-hydroxy-2,2,3,5-tetramethylpyrrolidine-3-carboxylate
PubChem CID87631678
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 1-hydroxy-2,2,3,5-tetramethylpyrrolidine-3-carboxylate
SMILESCC1CC(C)(C(=O)ON2C(=O)CCC2=O)C(C)(C)N1O
InChIInChI=1S/C13H20N2O5/c1-8-7-13(4,12(2,3)15(8)19)11(18)20-14-9(16)5-6-10(14)17/h8,19H,5-7H2,1-4H3
InChIKeyYCVNDEVHEOCGNF-UHFFFAOYSA-N
XLogP0.86
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
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) 2,2,3,3-tetramethylcyclopropane-1-carboxylate
CID 794147
(2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate
CID 87500433
1-O-(2,5-dioxopyrrolidin-1-yl) 3-O-(3-methyl-2,5-dioxopyrrolidin-1-yl) propanedioate
CID 126608619
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;ethane-1,2-diol
CID 87408657
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
1-O'-(2,5-dioxopyrrolidin-1-yl) 1-O-ethyl cyclobutane-1,1-dicarboxylate
CID 118183207
bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate
CID 121006912
(2,5-dioxopyrrolidin-1-yl) 3-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]bicyclo[1.1.1]pentane-1-carboxylate
CID 138498571
(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
CID 10352427
(Z)-4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobut-2-enoic acid
CID 87272120
(2,5-dioxopyrrolidin-1-yl) 2-oxoacetate
CID 58362051

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 1-hydroxy-2,2,3,5-tetramethylpyrrolidine-3-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 1-hydroxy-2,2,3,5-tetramethylpyrrolidine-3-carboxylate (CID 87631678) is (2,5-dioxopyrrolidin-1-yl) 1-hydroxy-2,2,3,5-tetramethylpyrrolidine-3-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 1-hydroxy-2,2,3,5-tetramethylpyrrolidine-3-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 1-hydroxy-2,2,3,5-tetramethylpyrrolidine-3-carboxylate is CC1CC(C)(C(=O)ON2C(=O)CCC2=O)C(C)(C)N1O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 1-hydroxy-2,2,3,5-tetramethylpyrrolidine-3-carboxylate?
The InChIKey is YCVNDEVHEOCGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-8-7-13(4,12(2,3)15(8)19)11(18)20-14-9(16)5-6-10(14)17/h8,19H,5-7H2,1-4H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 1-hydroxy-2,2,3,5-tetramethylpyrrolidine-3-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 1-hydroxy-2,2,3,5-tetramethylpyrrolidine-3-carboxylate has a molecular weight of 284.31 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 1-hydroxy-2,2,3,5-tetramethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 87631678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).