2-[2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)ethoxy]acetic acid

C10H15NO5 — CID 79456923

IUPAC2-[2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)ethoxy]acetic acid
SMILESCC1(C)CC(=O)N(CCOCC(=O)O)C1=O
InChIInChI=1S/C10H15NO5/c1-10(2)5-7(12)11(9(10)15)3-4-16-6-8(13)14/h3-6H2,1-2H3,(H,13,14)
InChIKeyFQQCXDFAMIRQQE-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.13
Rot. Bonds5

About 2-[2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)ethoxy]acetic acid

2-[2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)ethoxy]acetic acid (PubChem CID 79456923) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-[2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)ethoxy]acetic acid
PubChem CID79456923
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name2-[2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)ethoxy]acetic acid
SMILESCC1(C)CC(=O)N(CCOCC(=O)O)C1=O
InChIInChI=1S/C10H15NO5/c1-10(2)5-7(12)11(9(10)15)3-4-16-6-8(13)14/h3-6H2,1-2H3,(H,13,14)
InChIKeyFQQCXDFAMIRQQE-UHFFFAOYSA-N
XLogP-0.13
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)ethoxy]acetic acid?
The IUPAC name of 2-[2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)ethoxy]acetic acid (CID 79456923) is 2-[2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)ethoxy]acetic acid is CC1(C)CC(=O)N(CCOCC(=O)O)C1=O.
What is the InChIKey of 2-[2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)ethoxy]acetic acid?
The InChIKey is FQQCXDFAMIRQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-10(2)5-7(12)11(9(10)15)3-4-16-6-8(13)14/h3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)ethoxy]acetic acid?
2-[2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)ethoxy]acetic acid has a molecular weight of 229.23 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)ethoxy]acetic acid is sourced from PubChem (CID 79456923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).