2-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid

C12H19NO4 — CID 61261558

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

About 2-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid

2-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid (PubChem CID 61261558) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid
PubChem CID61261558
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid
SMILESCC(C)C1(C)CC(=O)N(C(C)(C)C(=O)O)C1=O
InChIInChI=1S/C12H19NO4/c1-7(2)12(5)6-8(14)13(9(12)15)11(3,4)10(16)17/h7H,6H2,1-5H3,(H,16,17)
InChIKeyGPMGNJLGBFXJHQ-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-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid (CID 61261558) is 2-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid is CC(C)C1(C)CC(=O)N(C(C)(C)C(=O)O)C1=O.
What is the InChIKey of 2-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid?
The InChIKey is GPMGNJLGBFXJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-7(2)12(5)6-8(14)13(9(12)15)11(3,4)10(16)17/h7H,6H2,1-5H3,(H,16,17).
What are the key properties of 2-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid?
2-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic 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-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 61261558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).