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

C12H18N2O4 — CID 43441289

IUPAC1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1CCN1C(=O)CCC1=O
InChIInChI=1S/C12H18N2O4/c15-10-4-5-11(16)14(10)8-7-13-6-2-1-3-9(13)12(17)18/h9H,1-8H2,(H,17,18)
InChIKeyCPXLWELRPZAWRB-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.07
Rot. Bonds4

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

1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylic acid (PubChem CID 43441289) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylic acid
PubChem CID43441289
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1CCN1C(=O)CCC1=O
InChIInChI=1S/C12H18N2O4/c15-10-4-5-11(16)14(10)8-7-13-6-2-1-3-9(13)12(17)18/h9H,1-8H2,(H,17,18)
InChIKeyCPXLWELRPZAWRB-UHFFFAOYSA-N
XLogP0.07
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylic acid (CID 43441289) is 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1CCN1C(=O)CCC1=O.
What is the InChIKey of 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylic acid?
The InChIKey is CPXLWELRPZAWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c15-10-4-5-11(16)14(10)8-7-13-6-2-1-3-9(13)12(17)18/h9H,1-8H2,(H,17,18).
What are the key properties of 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylic acid?
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43441289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).