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

C11H16N2O4 — CID 43638753

IUPAC1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid
SMILESCN1C(=O)CC(N2CCCCC2C(=O)O)C1=O
InChIInChI=1S/C11H16N2O4/c1-12-9(14)6-8(10(12)15)13-5-3-2-4-7(13)11(16)17/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeyGKHLGCBBOYEEBH-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.32
Rot. Bonds2

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

1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid (PubChem CID 43638753) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid
PubChem CID43638753
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid
SMILESCN1C(=O)CC(N2CCCCC2C(=O)O)C1=O
InChIInChI=1S/C11H16N2O4/c1-12-9(14)6-8(10(12)15)13-5-3-2-4-7(13)11(16)17/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeyGKHLGCBBOYEEBH-UHFFFAOYSA-N
XLogP-0.32
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid (CID 43638753) is 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid is CN1C(=O)CC(N2CCCCC2C(=O)O)C1=O.
What is the InChIKey of 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid?
The InChIKey is GKHLGCBBOYEEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-12-9(14)6-8(10(12)15)13-5-3-2-4-7(13)11(16)17/h7-8H,2-6H2,1H3,(H,16,17).
What are the key properties of 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid?
1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 43638753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).