1-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)piperidine-2-carboxylic acid

C15H24N2O4 — CID 43638748

IUPAC1-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)piperidine-2-carboxylic acid
SMILESCCC(CC)N1C(=O)CC(N2CCCCC2C(=O)O)C1=O
InChIInChI=1S/C15H24N2O4/c1-3-10(4-2)17-13(18)9-12(14(17)19)16-8-6-5-7-11(16)15(20)21/h10-12H,3-9H2,1-2H3,(H,20,21)
InChIKeyKRRSBKAMHZBSTB-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.24
Rot. Bonds5

About 1-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)piperidine-2-carboxylic acid

1-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)piperidine-2-carboxylic acid (PubChem CID 43638748) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)piperidine-2-carboxylic acid
PubChem CID43638748
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)piperidine-2-carboxylic acid
SMILESCCC(CC)N1C(=O)CC(N2CCCCC2C(=O)O)C1=O
InChIInChI=1S/C15H24N2O4/c1-3-10(4-2)17-13(18)9-12(14(17)19)16-8-6-5-7-11(16)15(20)21/h10-12H,3-9H2,1-2H3,(H,20,21)
InChIKeyKRRSBKAMHZBSTB-UHFFFAOYSA-N
XLogP1.24
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.24
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-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)piperidine-2-carboxylic acid (CID 43638748) is 1-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)piperidine-2-carboxylic acid is CCC(CC)N1C(=O)CC(N2CCCCC2C(=O)O)C1=O.
What is the InChIKey of 1-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)piperidine-2-carboxylic acid?
The InChIKey is KRRSBKAMHZBSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-3-10(4-2)17-13(18)9-12(14(17)19)16-8-6-5-7-11(16)15(20)21/h10-12H,3-9H2,1-2H3,(H,20,21).
What are the key properties of 1-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)piperidine-2-carboxylic acid?
1-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)piperidine-2-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 43638748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).