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

C14H23NO4 — CID 43645098

IUPAC2-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid
SMILESCCCC(C)(C(=O)O)N1C(=O)CC(C)(C(C)C)C1=O
InChIInChI=1S/C14H23NO4/c1-6-7-14(5,12(18)19)15-10(16)8-13(4,9(2)3)11(15)17/h9H,6-8H2,1-5H3,(H,18,19)
InChIKeyKIRFUZDLFKHXCS-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.05
Rot. Bonds5

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

2-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid (PubChem CID 43645098) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid
PubChem CID43645098
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid
SMILESCCCC(C)(C(=O)O)N1C(=O)CC(C)(C(C)C)C1=O
InChIInChI=1S/C14H23NO4/c1-6-7-14(5,12(18)19)15-10(16)8-13(4,9(2)3)11(15)17/h9H,6-8H2,1-5H3,(H,18,19)
InChIKeyKIRFUZDLFKHXCS-UHFFFAOYSA-N
XLogP2.05
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.05
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)pentanoic acid?
The IUPAC name of 2-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid (CID 43645098) is 2-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid?
The canonical SMILES for 2-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid is CCCC(C)(C(=O)O)N1C(=O)CC(C)(C(C)C)C1=O.
What is the InChIKey of 2-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid?
The InChIKey is KIRFUZDLFKHXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-6-7-14(5,12(18)19)15-10(16)8-13(4,9(2)3)11(15)17/h9H,6-8H2,1-5H3,(H,18,19).
What are the key properties of 2-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid?
2-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid has a molecular weight of 269.34 g/mol, XLogP of 2.05, 5 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)pentanoic acid is sourced from PubChem (CID 43645098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).