2-(2-methyl-1,3-dioxoisoindol-4-yl)acetic acid

C11H9NO4 — CID 46193084

IUPAC2-(2-methyl-1,3-dioxoisoindol-4-yl)acetic acid
SMILESCN1C(=O)c2cccc(CC(=O)O)c2C1=O
InChIInChI=1S/C11H9NO4/c1-12-10(15)7-4-2-3-6(5-8(13)14)9(7)11(12)16/h2-4H,5H2,1H3,(H,13,14)
InChIKeyCGLFNHKZZJXBKM-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.54
Rot. Bonds2

About 2-(2-methyl-1,3-dioxoisoindol-4-yl)acetic acid

2-(2-methyl-1,3-dioxoisoindol-4-yl)acetic acid (PubChem CID 46193084) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dioxoisoindol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-1,3-dioxoisoindol-4-yl)acetic acid
PubChem CID46193084
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name2-(2-methyl-1,3-dioxoisoindol-4-yl)acetic acid
SMILESCN1C(=O)c2cccc(CC(=O)O)c2C1=O
InChIInChI=1S/C11H9NO4/c1-12-10(15)7-4-2-3-6(5-8(13)14)9(7)11(12)16/h2-4H,5H2,1H3,(H,13,14)
InChIKeyCGLFNHKZZJXBKM-UHFFFAOYSA-N
XLogP0.54
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.54
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-(2-methyl-1,3-dioxoisoindol-4-yl)acetic acid?
The IUPAC name of 2-(2-methyl-1,3-dioxoisoindol-4-yl)acetic acid (CID 46193084) is 2-(2-methyl-1,3-dioxoisoindol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-1,3-dioxoisoindol-4-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-1,3-dioxoisoindol-4-yl)acetic acid is CN1C(=O)c2cccc(CC(=O)O)c2C1=O.
What is the InChIKey of 2-(2-methyl-1,3-dioxoisoindol-4-yl)acetic acid?
The InChIKey is CGLFNHKZZJXBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c1-12-10(15)7-4-2-3-6(5-8(13)14)9(7)11(12)16/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 2-(2-methyl-1,3-dioxoisoindol-4-yl)acetic acid?
2-(2-methyl-1,3-dioxoisoindol-4-yl)acetic acid has a molecular weight of 219.20 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-dioxoisoindol-4-yl)acetic acid is sourced from PubChem (CID 46193084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).