2-(3-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid

C7H9NO4 — CID 54406343

IUPAC2-(3-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid
SMILESCC1(CC(=O)O)CC(=O)NC1=O
InChIInChI=1S/C7H9NO4/c1-7(3-5(10)11)2-4(9)8-6(7)12/h2-3H2,1H3,(H,10,11)(H,8,9,12)
InChIKeyVQYNQRGUEVLDON-UHFFFAOYSA-N
MW171.15 g/mol
LogP-0.49
Rot. Bonds2

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

2-(3-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid (PubChem CID 54406343) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is 2-(3-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid
PubChem CID54406343
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name2-(3-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid
SMILESCC1(CC(=O)O)CC(=O)NC1=O
InChIInChI=1S/C7H9NO4/c1-7(3-5(10)11)2-4(9)8-6(7)12/h2-3H2,1H3,(H,10,11)(H,8,9,12)
InChIKeyVQYNQRGUEVLDON-UHFFFAOYSA-N
XLogP-0.49
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
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-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid?
The IUPAC name of 2-(3-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid (CID 54406343) is 2-(3-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid is CC1(CC(=O)O)CC(=O)NC1=O.
What is the InChIKey of 2-(3-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid?
The InChIKey is VQYNQRGUEVLDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-7(3-5(10)11)2-4(9)8-6(7)12/h2-3H2,1H3,(H,10,11)(H,8,9,12).
What are the key properties of 2-(3-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid?
2-(3-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid has a molecular weight of 171.15 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid is sourced from PubChem (CID 54406343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).