2,2,3-trimethyl-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanoic acid

C12H19NO4 — CID 65266415

IUPAC2,2,3-trimethyl-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanoic acid
SMILESCC1CC(=O)N(C(C)(C)C(C)(C)C(=O)O)C1=O
InChIInChI=1S/C12H19NO4/c1-7-6-8(14)13(9(7)15)12(4,5)11(2,3)10(16)17/h7H,6H2,1-5H3,(H,16,17)
InChIKeyUUONKEUFPXMCHH-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.27
Rot. Bonds3

About 2,2,3-trimethyl-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanoic acid

2,2,3-trimethyl-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanoic acid (PubChem CID 65266415) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanoic acid
PubChem CID65266415
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2,2,3-trimethyl-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanoic acid
SMILESCC1CC(=O)N(C(C)(C)C(C)(C)C(=O)O)C1=O
InChIInChI=1S/C12H19NO4/c1-7-6-8(14)13(9(7)15)12(4,5)11(2,3)10(16)17/h7H,6H2,1-5H3,(H,16,17)
InChIKeyUUONKEUFPXMCHH-UHFFFAOYSA-N
XLogP1.27
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanoic acid (CID 65266415) is 2,2,3-trimethyl-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanoic acid is CC1CC(=O)N(C(C)(C)C(C)(C)C(=O)O)C1=O.
What is the InChIKey of 2,2,3-trimethyl-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanoic acid?
The InChIKey is UUONKEUFPXMCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-7-6-8(14)13(9(7)15)12(4,5)11(2,3)10(16)17/h7H,6H2,1-5H3,(H,16,17).
What are the key properties of 2,2,3-trimethyl-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanoic acid?
2,2,3-trimethyl-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanoic acid has a molecular weight of 241.29 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 65266415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).