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

C10H7NO4 — CID 20825

IUPAC2-(1,3-dioxoisoindol-2-yl)acetic acid
SMILESO=C(O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)
InChIKeyWQINSVOOIJDOLJ-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.37
Rot. Bonds2

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

2-(1,3-dioxoisoindol-2-yl)acetic acid (PubChem CID 20825) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)acetic acid
PubChem CID20825
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name2-(1,3-dioxoisoindol-2-yl)acetic acid
SMILESO=C(O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)
InChIKeyWQINSVOOIJDOLJ-UHFFFAOYSA-N
XLogP0.37
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.37
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-(1,3-dioxoisoindol-2-yl)acetic acid?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)acetic acid (CID 20825) is 2-(1,3-dioxoisoindol-2-yl)acetic acid.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)acetic acid?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)acetic acid is O=C(O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)acetic acid?
The InChIKey is WQINSVOOIJDOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)acetic acid?
2-(1,3-dioxoisoindol-2-yl)acetic acid has a molecular weight of 205.17 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)acetic acid is sourced from PubChem (CID 20825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).