potassium 2-(1,3-dioxoisoindol-2-yl)propanoate

C11H8KNO4 — CID 19205374

IUPACpotassium 2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCC(C(=O)[O-])N1C(=O)c2ccccc2C1=O.[K+]
InChIInChI=1S/C11H9NO4.K/c1-6(11(15)16)12-9(13)7-4-2-3-5-8(7)10(12)14;/h2-6H,1H3,(H,15,16);/q;+1/p-1
InChIKeyOEBMQMZJTMAAIL-UHFFFAOYSA-M
MW257.29 g/mol
LogP-3.58
Rot. Bonds2

About potassium 2-(1,3-dioxoisoindol-2-yl)propanoate

potassium 2-(1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 19205374) has the molecular formula C11H8KNO4 and a molecular weight of 257.29 g/mol. Its IUPAC name is potassium 2-(1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Namepotassium 2-(1,3-dioxoisoindol-2-yl)propanoate
PubChem CID19205374
Molecular FormulaC11H8KNO4
Molecular Weight257.29 g/mol
Exact Mass257.01
IUPAC Namepotassium 2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCC(C(=O)[O-])N1C(=O)c2ccccc2C1=O.[K+]
InChIInChI=1S/C11H9NO4.K/c1-6(11(15)16)12-9(13)7-4-2-3-5-8(7)10(12)14;/h2-6H,1H3,(H,15,16);/q;+1/p-1
InChIKeyOEBMQMZJTMAAIL-UHFFFAOYSA-M
XLogP-3.58
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-3.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)propanoate);bis(rhodium(2+))
CID 56647031
2-(3-oxobutan-2-yl)isoindole-1,3-dione
CID 12910747
sodium 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 19205516
2-(4,4-dichloro-3-oxobutan-2-yl)isoindole-1,3-dione
CID 18704328
2-(1,3-dioxoisoindol-2-yl)propanehydrazide
CID 23761283
propan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 75674147
potassium 1-(1,3-dioxoisoindol-2-yl)ethanesulfonate
CID 140883913
(2R)-2-(1,3-dioxoisoindol-2-yl)propanethioamide
CID 833261
sodium 2-(5-nitro-1,3-dioxoisoindol-2-yl)propanoate
CID 24940940
4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
CID 4523065
(2S)-2-(1,3-dioxoisoindol-2-yl)-2-phenylacetate
CID 6948636
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136

Frequently Asked Questions

What is the IUPAC name of potassium 2-(1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of potassium 2-(1,3-dioxoisoindol-2-yl)propanoate (CID 19205374) is potassium 2-(1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for potassium 2-(1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for potassium 2-(1,3-dioxoisoindol-2-yl)propanoate is CC(C(=O)[O-])N1C(=O)c2ccccc2C1=O.[K+].
What is the InChIKey of potassium 2-(1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is OEBMQMZJTMAAIL-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9NO4.K/c1-6(11(15)16)12-9(13)7-4-2-3-5-8(7)10(12)14;/h2-6H,1H3,(H,15,16);/q;+1/p-1.
What are the key properties of potassium 2-(1,3-dioxoisoindol-2-yl)propanoate?
potassium 2-(1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 257.29 g/mol, XLogP of -3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 19205374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).