2-[3,5-dimethyl-3,5-bis(2-methylbutan-2-yl)-2,6-dioxopiperidin-1-yl]acetic acid

C19H33NO4 — CID 71122464

IUPAC2-[3,5-dimethyl-3,5-bis(2-methylbutan-2-yl)-2,6-dioxopiperidin-1-yl]acetic acid
SMILESCCC(C)(C)C1(C)CC(C)(C(C)(C)CC)C(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C19H33NO4/c1-9-16(3,4)18(7)12-19(8,17(5,6)10-2)15(24)20(14(18)23)11-13(21)22/h9-12H2,1-8H3,(H,21,22)
InChIKeyAOOIGZZOQYRGGV-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.71
Rot. Bonds6

About 2-[3,5-dimethyl-3,5-bis(2-methylbutan-2-yl)-2,6-dioxopiperidin-1-yl]acetic acid

2-[3,5-dimethyl-3,5-bis(2-methylbutan-2-yl)-2,6-dioxopiperidin-1-yl]acetic acid (PubChem CID 71122464) has the molecular formula C19H33NO4 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[3,5-dimethyl-3,5-bis(2-methylbutan-2-yl)-2,6-dioxopiperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3,5-dimethyl-3,5-bis(2-methylbutan-2-yl)-2,6-dioxopiperidin-1-yl]acetic acid
PubChem CID71122464
Molecular FormulaC19H33NO4
Molecular Weight339.48 g/mol
Exact Mass339.24
IUPAC Name2-[3,5-dimethyl-3,5-bis(2-methylbutan-2-yl)-2,6-dioxopiperidin-1-yl]acetic acid
SMILESCCC(C)(C)C1(C)CC(C)(C(C)(C)CC)C(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C19H33NO4/c1-9-16(3,4)18(7)12-19(8,17(5,6)10-2)15(24)20(14(18)23)11-13(21)22/h9-12H2,1-8H3,(H,21,22)
InChIKeyAOOIGZZOQYRGGV-UHFFFAOYSA-N
XLogP3.71
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.71
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-[3,5-dimethyl-3,5-bis(2-methylbutan-2-yl)-2,6-dioxopiperidin-1-yl]acetic acid?
The IUPAC name of 2-[3,5-dimethyl-3,5-bis(2-methylbutan-2-yl)-2,6-dioxopiperidin-1-yl]acetic acid (CID 71122464) is 2-[3,5-dimethyl-3,5-bis(2-methylbutan-2-yl)-2,6-dioxopiperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3,5-dimethyl-3,5-bis(2-methylbutan-2-yl)-2,6-dioxopiperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3,5-dimethyl-3,5-bis(2-methylbutan-2-yl)-2,6-dioxopiperidin-1-yl]acetic acid is CCC(C)(C)C1(C)CC(C)(C(C)(C)CC)C(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-[3,5-dimethyl-3,5-bis(2-methylbutan-2-yl)-2,6-dioxopiperidin-1-yl]acetic acid?
The InChIKey is AOOIGZZOQYRGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO4/c1-9-16(3,4)18(7)12-19(8,17(5,6)10-2)15(24)20(14(18)23)11-13(21)22/h9-12H2,1-8H3,(H,21,22).
What are the key properties of 2-[3,5-dimethyl-3,5-bis(2-methylbutan-2-yl)-2,6-dioxopiperidin-1-yl]acetic acid?
2-[3,5-dimethyl-3,5-bis(2-methylbutan-2-yl)-2,6-dioxopiperidin-1-yl]acetic acid has a molecular weight of 339.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-3,5-bis(2-methylbutan-2-yl)-2,6-dioxopiperidin-1-yl]acetic acid is sourced from PubChem (CID 71122464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).