1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]piperidine-2-carboxylic acid

C13H18N2O5 — CID 43356040

IUPAC1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C13H18N2O5/c16-10-4-5-11(17)15(10)8-6-12(18)14-7-2-1-3-9(14)13(19)20/h9H,1-8H2,(H,19,20)
InChIKeyFFKOCHUGRXKGFH-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.01
Rot. Bonds4

About 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]piperidine-2-carboxylic acid

1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]piperidine-2-carboxylic acid (PubChem CID 43356040) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]piperidine-2-carboxylic acid
PubChem CID43356040
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C13H18N2O5/c16-10-4-5-11(17)15(10)8-6-12(18)14-7-2-1-3-9(14)13(19)20/h9H,1-8H2,(H,19,20)
InChIKeyFFKOCHUGRXKGFH-UHFFFAOYSA-N
XLogP-0.01
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.01
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-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]piperidine-2-carboxylic acid (CID 43356040) is 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]piperidine-2-carboxylic acid?
The InChIKey is FFKOCHUGRXKGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c16-10-4-5-11(17)15(10)8-6-12(18)14-7-2-1-3-9(14)13(19)20/h9H,1-8H2,(H,19,20).
What are the key properties of 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]piperidine-2-carboxylic acid?
1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]piperidine-2-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43356040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).