2-[1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidin-2-yl]acetic acid

C15H24N2O4 — CID 61010572

IUPAC2-[1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidin-2-yl]acetic acid
SMILESCCC(C)N1C(=O)CC(N2CCCCC2CC(=O)O)C1=O
InChIInChI=1S/C15H24N2O4/c1-3-10(2)17-13(18)9-12(15(17)21)16-7-5-4-6-11(16)8-14(19)20/h10-12H,3-9H2,1-2H3,(H,19,20)
InChIKeyXOLIRMIKOWJWOK-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.24
Rot. Bonds5

About 2-[1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidin-2-yl]acetic acid

2-[1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidin-2-yl]acetic acid (PubChem CID 61010572) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidin-2-yl]acetic acid
PubChem CID61010572
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidin-2-yl]acetic acid
SMILESCCC(C)N1C(=O)CC(N2CCCCC2CC(=O)O)C1=O
InChIInChI=1S/C15H24N2O4/c1-3-10(2)17-13(18)9-12(15(17)21)16-7-5-4-6-11(16)8-14(19)20/h10-12H,3-9H2,1-2H3,(H,19,20)
InChIKeyXOLIRMIKOWJWOK-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 2-[1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidin-2-yl]acetic acid (CID 61010572) is 2-[1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidin-2-yl]acetic acid is CCC(C)N1C(=O)CC(N2CCCCC2CC(=O)O)C1=O.
What is the InChIKey of 2-[1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidin-2-yl]acetic acid?
The InChIKey is XOLIRMIKOWJWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-3-10(2)17-13(18)9-12(15(17)21)16-7-5-4-6-11(16)8-14(19)20/h10-12H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidin-2-yl]acetic acid?
2-[1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidin-2-yl]acetic 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 2-[1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 61010572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).