2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-methylpropanoic acid

C12H11NO5 — CID 57007568

IUPAC2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-methylpropanoic acid
SMILESCC(CO)(C(=O)O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H11NO5/c1-12(6-14,11(17)18)13-9(15)7-4-2-3-5-8(7)10(13)16/h2-5,14H,6H2,1H3,(H,17,18)
InChIKeyFWLZKZQTDLVEBQ-UHFFFAOYSA-N
MW249.22 g/mol
LogP0.12
Rot. Bonds3

About 2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-methylpropanoic acid

2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-methylpropanoic acid (PubChem CID 57007568) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-methylpropanoic acid
PubChem CID57007568
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-methylpropanoic acid
SMILESCC(CO)(C(=O)O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H11NO5/c1-12(6-14,11(17)18)13-9(15)7-4-2-3-5-8(7)10(13)16/h2-5,14H,6H2,1H3,(H,17,18)
InChIKeyFWLZKZQTDLVEBQ-UHFFFAOYSA-N
XLogP0.12
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-hydroxy-2-phenylpropan-2-yl)isoindole-1,3-dione
CID 105059304
3-(1,3-dioxoisoindol-2-yl)-2,2,3-trimethylbutanoic acid
CID 65266462
(2R)-2-(1,3-dioxoisoindol-2-yl)-2-phenylpropanoic acid
CID 102370956
2-(2-hydroxypropan-2-yl)isoindole-1,3-dione
CID 10035842
carbon dioxide;(2S)-2-(1,3-dioxoisoindol-2-yl)-2-methyl-3-(3-methylphenyl)propanoic acid
CID 159324606
(2S)-2-(1,3-dioxoisoindol-2-yl)-2-methylpent-4-enamide
CID 101103152
2-(3-hydroxy-2,3-dimethylbutan-2-yl)isoindole-1,3-dione
CID 59102632
2-(5-bromo-1,3-dioxoisoindol-2-yl)-2-methylbutanoic acid
CID 79792390
methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-phenylpropanoate
CID 90089997
2-(4-amino-1,3-dioxoisoindol-2-yl)-2-methylpentanedioic acid
CID 70209549
2-(2,5-dimethylpyrrol-1-yl)-3-hydroxy-2-methylpropanoic acid
CID 131049022
2-(1,3-dioxoisoindol-2-yl)-N-(2,2-diphenylethyl)-N,2-dimethylpropanamide
CID 19823518

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-methylpropanoic acid?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-methylpropanoic acid (CID 57007568) is 2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-methylpropanoic acid is CC(CO)(C(=O)O)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-methylpropanoic acid?
The InChIKey is FWLZKZQTDLVEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5/c1-12(6-14,11(17)18)13-9(15)7-4-2-3-5-8(7)10(13)16/h2-5,14H,6H2,1H3,(H,17,18).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-methylpropanoic acid?
2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-methylpropanoic acid has a molecular weight of 249.22 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 57007568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).