2-(1,3-dioxoisoindol-2-yl)-4,4-dimethylpentanoic acid

C15H17NO4 — CID 130960815

IUPAC2-(1,3-dioxoisoindol-2-yl)-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(C(=O)O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H17NO4/c1-15(2,3)8-11(14(19)20)16-12(17)9-6-4-5-7-10(9)13(16)18/h4-7,11H,8H2,1-3H3,(H,19,20)
InChIKeyYOUCPFXSCWFCGY-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.17
Rot. Bonds3

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

2-(1,3-dioxoisoindol-2-yl)-4,4-dimethylpentanoic acid (PubChem CID 130960815) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-4,4-dimethylpentanoic acid
PubChem CID130960815
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(C(=O)O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H17NO4/c1-15(2,3)8-11(14(19)20)16-12(17)9-6-4-5-7-10(9)13(16)18/h4-7,11H,8H2,1-3H3,(H,19,20)
InChIKeyYOUCPFXSCWFCGY-UHFFFAOYSA-N
XLogP2.17
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-[[(2R)-2-carboxy-2-(1,3-dioxoisoindol-2-yl)ethyl]disulfanyl]-2-(1,3-dioxoisoindol-2-yl)propanoic acid
CID 11970104
(2S)-3-(3,6-ditert-butylcarbazol-9-yl)-2-(1,3-dioxoisoindol-2-yl)propanoic acid
CID 177377861
6-amino-2-(1,3-dioxoisoindol-2-yl)-6-methyl-5-oxoheptanoic acid;methane
CID 158816585
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanoic acid
CID 154722861
(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methoxybutanoic acid
CID 102042590
2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoic acid
CID 604114
4,4-dimethyl-2-[(1-methylidene-3-oxoisoindol-2-yl)methyl]pentanoic acid
CID 107472876
2,2,3,3-tetradeuterio-4-(1,3-dioxoisoindol-2-yl)pentanedioic acid
CID 87103523
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-diphenylphosphorylpropanoic acid
CID 22829099
2-(1,3-dioxoisoindol-2-yl)-3-(3-fluorophenyl)propanoic acid
CID 175668475
(2S)-2-(1,3-dioxoisoindol-2-yl)-5-ethoxy-5-oxopentanoic acid
CID 18640718
2-(1,3-dioxoisoindol-2-yl)-5-ethoxy-5-oxopentanoic acid
CID 19812261

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-4,4-dimethylpentanoic acid?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-4,4-dimethylpentanoic acid (CID 130960815) is 2-(1,3-dioxoisoindol-2-yl)-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-4,4-dimethylpentanoic acid is CC(C)(C)CC(C(=O)O)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-4,4-dimethylpentanoic acid?
The InChIKey is YOUCPFXSCWFCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-15(2,3)8-11(14(19)20)16-12(17)9-6-4-5-7-10(9)13(16)18/h4-7,11H,8H2,1-3H3,(H,19,20).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-4,4-dimethylpentanoic acid?
2-(1,3-dioxoisoindol-2-yl)-4,4-dimethylpentanoic acid has a molecular weight of 275.30 g/mol, XLogP of 2.17, 3 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)-4,4-dimethylpentanoic acid is sourced from PubChem (CID 130960815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).