2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanoic acid

C12H19NO4 — CID 62931902

IUPAC2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C12H19NO4/c1-4-5-8(11(16)17)13-9(14)6-12(2,3)7-10(13)15/h8H,4-7H2,1-3H3,(H,16,17)
InChIKeyGKNZPYLRWVERFM-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.41
Rot. Bonds4

About 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanoic acid

2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanoic acid (PubChem CID 62931902) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanoic acid
PubChem CID62931902
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C12H19NO4/c1-4-5-8(11(16)17)13-9(14)6-12(2,3)7-10(13)15/h8H,4-7H2,1-3H3,(H,16,17)
InChIKeyGKNZPYLRWVERFM-UHFFFAOYSA-N
XLogP1.41
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanoic acid?
The IUPAC name of 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanoic acid (CID 62931902) is 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanoic acid?
The canonical SMILES for 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanoic acid is CCCC(C(=O)O)N1C(=O)CC(C)(C)CC1=O.
What is the InChIKey of 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanoic acid?
The InChIKey is GKNZPYLRWVERFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-4-5-8(11(16)17)13-9(14)6-12(2,3)7-10(13)15/h8H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanoic acid?
2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanoic acid has a molecular weight of 241.29 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanoic acid is sourced from PubChem (CID 62931902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).