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

C10H13NO4 — CID 61291400

IUPAC1-(2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid
SMILESO=C1CCC(=O)N1C1(C(=O)O)CCCC1
InChIInChI=1S/C10H13NO4/c12-7-3-4-8(13)11(7)10(9(14)15)5-1-2-6-10/h1-6H2,(H,14,15)
InChIKeyDRVJBDFTJQFICD-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.53
Rot. Bonds2

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

1-(2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 61291400) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-(2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID61291400
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name1-(2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid
SMILESO=C1CCC(=O)N1C1(C(=O)O)CCCC1
InChIInChI=1S/C10H13NO4/c12-7-3-4-8(13)11(7)10(9(14)15)5-1-2-6-10/h1-6H2,(H,14,15)
InChIKeyDRVJBDFTJQFICD-UHFFFAOYSA-N
XLogP0.53
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.53
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-(2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid (CID 61291400) is 1-(2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid is O=C1CCC(=O)N1C1(C(=O)O)CCCC1.
What is the InChIKey of 1-(2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is DRVJBDFTJQFICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c12-7-3-4-8(13)11(7)10(9(14)15)5-1-2-6-10/h1-6H2,(H,14,15).
What are the key properties of 1-(2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid?
1-(2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61291400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).