1-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid

C12H17NO4 — CID 82762601

IUPAC1-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCC1CC(=O)N(C2CCCC2(C)C(=O)O)C1=O
InChIInChI=1S/C12H17NO4/c1-7-6-9(14)13(10(7)15)8-4-3-5-12(8,2)11(16)17/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyNMAQUGRPUKUNJA-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.02
Rot. Bonds2

About 1-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid

1-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 82762601) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID82762601
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name1-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCC1CC(=O)N(C2CCCC2(C)C(=O)O)C1=O
InChIInChI=1S/C12H17NO4/c1-7-6-9(14)13(10(7)15)8-4-3-5-12(8,2)11(16)17/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyNMAQUGRPUKUNJA-UHFFFAOYSA-N
XLogP1.02
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.02
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 1-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid (CID 82762601) is 1-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid is CC1CC(=O)N(C2CCCC2(C)C(=O)O)C1=O.
What is the InChIKey of 1-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is NMAQUGRPUKUNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-7-6-9(14)13(10(7)15)8-4-3-5-12(8,2)11(16)17/h7-8H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 1-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid?
1-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82762601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).