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

C13H13NO4 — CID 61263948

IUPAC2-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoic acid
SMILESCc1ccc2c(c1)C(=O)N(C(C)(C)C(=O)O)C2=O
InChIInChI=1S/C13H13NO4/c1-7-4-5-8-9(6-7)11(16)14(10(8)15)13(2,3)12(17)18/h4-6H,1-3H3,(H,17,18)
InChIKeyGJEZDVWBSUFGAU-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.45
Rot. Bonds2

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

2-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoic acid (PubChem CID 61263948) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoic acid
PubChem CID61263948
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name2-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoic acid
SMILESCc1ccc2c(c1)C(=O)N(C(C)(C)C(=O)O)C2=O
InChIInChI=1S/C13H13NO4/c1-7-4-5-8-9(6-7)11(16)14(10(8)15)13(2,3)12(17)18/h4-6H,1-3H3,(H,17,18)
InChIKeyGJEZDVWBSUFGAU-UHFFFAOYSA-N
XLogP1.45
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.45
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-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoic acid (CID 61263948) is 2-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoic acid is Cc1ccc2c(c1)C(=O)N(C(C)(C)C(=O)O)C2=O.
What is the InChIKey of 2-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoic acid?
The InChIKey is GJEZDVWBSUFGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-7-4-5-8-9(6-7)11(16)14(10(8)15)13(2,3)12(17)18/h4-6H,1-3H3,(H,17,18).
What are the key properties of 2-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoic acid?
2-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoic acid has a molecular weight of 247.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoic acid is sourced from PubChem (CID 61263948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).