2-(2,5-dioxoimidazolidin-1-yl)-1-methylcyclopentane-1-carboxylic acid

C10H14N2O4 — CID 107842077

IUPAC2-(2,5-dioxoimidazolidin-1-yl)-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1N1C(=O)CNC1=O
InChIInChI=1S/C10H14N2O4/c1-10(8(14)15)4-2-3-6(10)12-7(13)5-11-9(12)16/h6H,2-5H2,1H3,(H,11,16)(H,14,15)
InChIKeyCGVFAWANCNSSMK-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.18
Rot. Bonds2

About 2-(2,5-dioxoimidazolidin-1-yl)-1-methylcyclopentane-1-carboxylic acid

2-(2,5-dioxoimidazolidin-1-yl)-1-methylcyclopentane-1-carboxylic acid (PubChem CID 107842077) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)-1-methylcyclopentane-1-carboxylic acid
PubChem CID107842077
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1N1C(=O)CNC1=O
InChIInChI=1S/C10H14N2O4/c1-10(8(14)15)4-2-3-6(10)12-7(13)5-11-9(12)16/h6H,2-5H2,1H3,(H,11,16)(H,14,15)
InChIKeyCGVFAWANCNSSMK-UHFFFAOYSA-N
XLogP0.18
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-1-methylcyclopentane-1-carboxylic acid (CID 107842077) is 2-(2,5-dioxoimidazolidin-1-yl)-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1N1C(=O)CNC1=O.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is CGVFAWANCNSSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-10(8(14)15)4-2-3-6(10)12-7(13)5-11-9(12)16/h6H,2-5H2,1H3,(H,11,16)(H,14,15).
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)-1-methylcyclopentane-1-carboxylic acid?
2-(2,5-dioxoimidazolidin-1-yl)-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 107842077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).