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

C8H11NO4 — CID 65298366

IUPAC2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetic acid
SMILESCC1(C)CC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C8H11NO4/c1-8(2)3-5(10)9(7(8)13)4-6(11)12/h3-4H2,1-2H3,(H,11,12)
InChIKeyCRQUSJPUMBMFTN-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.14
Rot. Bonds2

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

2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetic acid (PubChem CID 65298366) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetic acid
PubChem CID65298366
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetic acid
SMILESCC1(C)CC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C8H11NO4/c1-8(2)3-5(10)9(7(8)13)4-6(11)12/h3-4H2,1-2H3,(H,11,12)
InChIKeyCRQUSJPUMBMFTN-UHFFFAOYSA-N
XLogP-0.14
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.14
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-dimethyl-2,5-dioxopyrrolidin-1-yl)acetic acid?
The IUPAC name of 2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetic acid (CID 65298366) is 2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetic acid?
The canonical SMILES for 2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetic acid is CC1(C)CC(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetic acid?
The InChIKey is CRQUSJPUMBMFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-8(2)3-5(10)9(7(8)13)4-6(11)12/h3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetic acid?
2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetic acid has a molecular weight of 185.18 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 65298366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).