2-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-2-methylpentanoic acid

C14H23NO4 — CID 43645101

IUPAC2-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-2-methylpentanoic acid
SMILESCCCC(C)(C(=O)O)N1C(=O)CC(CC)(CC)C1=O
InChIInChI=1S/C14H23NO4/c1-5-8-13(4,12(18)19)15-10(16)9-14(6-2,7-3)11(15)17/h5-9H2,1-4H3,(H,18,19)
InChIKeyUOZVCKKAZPRZLG-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.20
Rot. Bonds6

About 2-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-2-methylpentanoic acid

2-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-2-methylpentanoic acid (PubChem CID 43645101) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-2-methylpentanoic acid
PubChem CID43645101
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-2-methylpentanoic acid
SMILESCCCC(C)(C(=O)O)N1C(=O)CC(CC)(CC)C1=O
InChIInChI=1S/C14H23NO4/c1-5-8-13(4,12(18)19)15-10(16)9-14(6-2,7-3)11(15)17/h5-9H2,1-4H3,(H,18,19)
InChIKeyUOZVCKKAZPRZLG-UHFFFAOYSA-N
XLogP2.20
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.20
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-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-2-methylpentanoic acid?
The IUPAC name of 2-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-2-methylpentanoic acid (CID 43645101) is 2-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-2-methylpentanoic acid.
What is the SMILES notation for 2-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-2-methylpentanoic acid?
The canonical SMILES for 2-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-2-methylpentanoic acid is CCCC(C)(C(=O)O)N1C(=O)CC(CC)(CC)C1=O.
What is the InChIKey of 2-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-2-methylpentanoic acid?
The InChIKey is UOZVCKKAZPRZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-5-8-13(4,12(18)19)15-10(16)9-14(6-2,7-3)11(15)17/h5-9H2,1-4H3,(H,18,19).
What are the key properties of 2-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-2-methylpentanoic acid?
2-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-2-methylpentanoic acid has a molecular weight of 269.34 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-2-methylpentanoic acid is sourced from PubChem (CID 43645101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).