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

C12H18N2O4 — CID 43638755

IUPAC1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid
SMILESCCN1C(=O)CC(N2CCCCC2C(=O)O)C1=O
InChIInChI=1S/C12H18N2O4/c1-2-13-10(15)7-9(11(13)16)14-6-4-3-5-8(14)12(17)18/h8-9H,2-7H2,1H3,(H,17,18)
InChIKeyJZRPXNAUXHBKBZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.07
Rot. Bonds3

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

1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid (PubChem CID 43638755) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid
PubChem CID43638755
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid
SMILESCCN1C(=O)CC(N2CCCCC2C(=O)O)C1=O
InChIInChI=1S/C12H18N2O4/c1-2-13-10(15)7-9(11(13)16)14-6-4-3-5-8(14)12(17)18/h8-9H,2-7H2,1H3,(H,17,18)
InChIKeyJZRPXNAUXHBKBZ-UHFFFAOYSA-N
XLogP0.07
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.07
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-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid (CID 43638755) is 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid is CCN1C(=O)CC(N2CCCCC2C(=O)O)C1=O.
What is the InChIKey of 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid?
The InChIKey is JZRPXNAUXHBKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-2-13-10(15)7-9(11(13)16)14-6-4-3-5-8(14)12(17)18/h8-9H,2-7H2,1H3,(H,17,18).
What are the key properties of 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid?
1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 43638755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).