1-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid

C12H17NO4 — CID 103499604

IUPAC1-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCC1C(=O)N(C2(C(=O)O)CCCC2)C(=O)C1C
InChIInChI=1S/C12H17NO4/c1-7-8(2)10(15)13(9(7)14)12(11(16)17)5-3-4-6-12/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyZTWRRUSRPFCHNF-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.02
Rot. Bonds2

About 1-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid

1-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 103499604) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID103499604
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name1-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCC1C(=O)N(C2(C(=O)O)CCCC2)C(=O)C1C
InChIInChI=1S/C12H17NO4/c1-7-8(2)10(15)13(9(7)14)12(11(16)17)5-3-4-6-12/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyZTWRRUSRPFCHNF-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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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
2-(2,5-Dioxopyrrolidin-1-yl)-3-ethylhexanoic acid
CID 176165727
2-(2,5-Dioxopyrrolidin-1-yl)-2-methylheptanoic acid
CID 176165728
2-(3-Methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoic acid
CID 43470103
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
2-(3,3-Diethyl-2,5-dioxopyrrolidin-1-yl)-2-methylpentanoic acid
CID 43645101
2-Methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid
CID 61036930
2-Methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid
CID 61261558
2-(1,3-Dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpropanoic acid
CID 61263949
1-(1,3-Dioxo-2-azaspiro[4.4]nonan-2-yl)cyclohexane-1-carboxylic acid
CID 61290281

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid (CID 103499604) is 1-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid is CC1C(=O)N(C2(C(=O)O)CCCC2)C(=O)C1C.
What is the InChIKey of 1-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is ZTWRRUSRPFCHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-7-8(2)10(15)13(9(7)14)12(11(16)17)5-3-4-6-12/h7-8H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 1-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid?
1-(3,4-dimethyl-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-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103499604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).