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

C14H21NO4 — CID 61290831

IUPAC1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCC(C)C1(C)CC(=O)N(C2(C(=O)O)CCCC2)C1=O
InChIInChI=1S/C14H21NO4/c1-9(2)13(3)8-10(16)15(11(13)17)14(12(18)19)6-4-5-7-14/h9H,4-8H2,1-3H3,(H,18,19)
InChIKeyLANJXJTZJZKZSJ-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.80
Rot. Bonds3

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

1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 61290831) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID61290831
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCC(C)C1(C)CC(=O)N(C2(C(=O)O)CCCC2)C1=O
InChIInChI=1S/C14H21NO4/c1-9(2)13(3)8-10(16)15(11(13)17)14(12(18)19)6-4-5-7-14/h9H,4-8H2,1-3H3,(H,18,19)
InChIKeyLANJXJTZJZKZSJ-UHFFFAOYSA-N
XLogP1.80
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-Dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid
CID 61291400
2-(2,5-Dioxopyrrolidin-1-yl)-2-propylpentanoic acid
CID 114991230
(2S)-2,3-ditert-butyl-5-oxopyrrolidine-1,2-dicarboxylic acid
CID 140257943
2-Tert-butyl-2-(2,5-dioxopyrrolidin-1-yl)hexadecanedioic acid
CID 153927664
2-(1,3-Dioxo-2-azaspiro[4.4]nonan-2-yl)-3-methylbutanoic acid
CID 43386025
2-(1,3-Dioxo-2-azaspiro[4.4]nonan-2-yl)-4-methylpentanoic acid
CID 43437145
2-(1,3-Dioxo-2-azaspiro[4.4]nonan-2-yl)-3-methylpentanoic acid
CID 43437157
2-(3-Methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoic acid
CID 43470103
2-(1,3-Dioxo-2-azaspiro[4.4]nonan-2-yl)hexanoic acid
CID 43470106
2-(1,3-Dioxo-2-azaspiro[4.4]nonan-2-yl)pentanoic acid
CID 43630197
2-Methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid
CID 43645098
2-(1,3-Dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpentanoic acid
CID 43645099

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid (CID 61290831) is 1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid is CC(C)C1(C)CC(=O)N(C2(C(=O)O)CCCC2)C1=O.
What is the InChIKey of 1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is LANJXJTZJZKZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9(2)13(3)8-10(16)15(11(13)17)14(12(18)19)6-4-5-7-14/h9H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid?
1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 267.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61290831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).