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

C14H22N2O4 — CID 43638750

IUPAC1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid
SMILESCCC(C)N1C(=O)CC(N2CCCCC2C(=O)O)C1=O
InChIInChI=1S/C14H22N2O4/c1-3-9(2)16-12(17)8-11(13(16)18)15-7-5-4-6-10(15)14(19)20/h9-11H,3-8H2,1-2H3,(H,19,20)
InChIKeyVKOXTQPJSUIUMV-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.85
Rot. Bonds4

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

1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid (PubChem CID 43638750) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid
PubChem CID43638750
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid
SMILESCCC(C)N1C(=O)CC(N2CCCCC2C(=O)O)C1=O
InChIInChI=1S/C14H22N2O4/c1-3-9(2)16-12(17)8-11(13(16)18)15-7-5-4-6-10(15)14(19)20/h9-11H,3-8H2,1-2H3,(H,19,20)
InChIKeyVKOXTQPJSUIUMV-UHFFFAOYSA-N
XLogP0.85
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidin-2-yl]acetic acid
CID 61010572
1-(2,5-dioxo-1-propylpyrrolidin-3-yl)piperidine-2-carboxylic acid
CID 43638751
1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid
CID 63136915
2-[1-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-yl]acetic acid
CID 61371520
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-cyclopentylamino]acetic acid
CID 60834441
2-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)sulfanylacetic acid
CID 43638328
1-butan-2-yl-5-oxopyrrolidine-2-carboxylic acid
CID 6624620
1-butan-2-yl-3-(2-cyclopentylethylamino)pyrrolidine-2,5-dione
CID 54932695
1-butan-2-yl-5-oxopyrrolidine-3-carboxylic acid
CID 4777950
1-(1-phenylpropan-2-yl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 13220410
1-butan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
CID 66471933
1-butan-2-yl-2-oxopyrrolidine-3-carboxylic acid
CID 59982778

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid (CID 43638750) is 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid is CCC(C)N1C(=O)CC(N2CCCCC2C(=O)O)C1=O.
What is the InChIKey of 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid?
The InChIKey is VKOXTQPJSUIUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-3-9(2)16-12(17)8-11(13(16)18)15-7-5-4-6-10(15)14(19)20/h9-11H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid?
1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 43638750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).