3-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid

C10H15NO4 — CID 57323780

IUPAC3-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid
SMILESCCC1(C)CC(=O)N(CCC(=O)O)C1=O
InChIInChI=1S/C10H15NO4/c1-3-10(2)6-7(12)11(9(10)15)5-4-8(13)14/h3-6H2,1-2H3,(H,13,14)
InChIKeyCGQIPZLZTAKTEP-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.64
Rot. Bonds4

About 3-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid

3-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid (PubChem CID 57323780) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid
PubChem CID57323780
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid
SMILESCCC1(C)CC(=O)N(CCC(=O)O)C1=O
InChIInChI=1S/C10H15NO4/c1-3-10(2)6-7(12)11(9(10)15)5-4-8(13)14/h3-6H2,1-2H3,(H,13,14)
InChIKeyCGQIPZLZTAKTEP-UHFFFAOYSA-N
XLogP0.64
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.64
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 3-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid?
The IUPAC name of 3-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid (CID 57323780) is 3-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 3-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid is CCC1(C)CC(=O)N(CCC(=O)O)C1=O.
What is the InChIKey of 3-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid?
The InChIKey is CGQIPZLZTAKTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-10(2)6-7(12)11(9(10)15)5-4-8(13)14/h3-6H2,1-2H3,(H,13,14).
What are the key properties of 3-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid?
3-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid has a molecular weight of 213.23 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 57323780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).