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

C15H24N2O4 — CID 63136915

IUPAC1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid
SMILESCCC(C)N1C(=O)CC(N2CCCC(C)(C(=O)O)C2)C1=O
InChIInChI=1S/C15H24N2O4/c1-4-10(2)17-12(18)8-11(13(17)19)16-7-5-6-15(3,9-16)14(20)21/h10-11H,4-9H2,1-3H3,(H,20,21)
InChIKeyLAZQEIGZSUHNMU-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.10
Rot. Bonds4

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

1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 63136915) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid
PubChem CID63136915
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid
SMILESCCC(C)N1C(=O)CC(N2CCCC(C)(C(=O)O)C2)C1=O
InChIInChI=1S/C15H24N2O4/c1-4-10(2)17-12(18)8-11(13(17)19)16-7-5-6-15(3,9-16)14(20)21/h10-11H,4-9H2,1-3H3,(H,20,21)
InChIKeyLAZQEIGZSUHNMU-UHFFFAOYSA-N
XLogP1.10
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.10
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

1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid
CID 43638750
2-[1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidin-2-yl]acetic acid
CID 61010572
3-methyl-1-(3-propan-2-ylcyclobutyl)piperidine-3-carboxylic acid
CID 103565147
3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 65068628
1-(1-phenylpropan-2-yl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 13220410
3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid
CID 65068571
1-butan-2-yl-3-[(1-methylcyclopentyl)amino]pyrrolidine-2,5-dione
CID 61366170
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxylic acid
CID 65069110
2-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)sulfanylacetic acid
CID 43638328
3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid
CID 103961419
1-(2-ethylbutanoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133956
(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
CID 26722586

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid (CID 63136915) is 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid is CCC(C)N1C(=O)CC(N2CCCC(C)(C(=O)O)C2)C1=O.
What is the InChIKey of 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is LAZQEIGZSUHNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-4-10(2)17-12(18)8-11(13(17)19)16-7-5-6-15(3,9-16)14(20)21/h10-11H,4-9H2,1-3H3,(H,20,21).
What are the key properties of 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid?
1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.10, 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)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63136915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).