5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoic acid

C13H11NO5 — CID 15049038

IUPAC5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoic acid
SMILESO=C(O)CCC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H11NO5/c15-8(5-6-11(16)17)7-14-12(18)9-3-1-2-4-10(9)13(14)19/h1-4H,5-7H2,(H,16,17)
InChIKeyIROQTJRDINLHEO-UHFFFAOYSA-N
MW261.23 g/mol
LogP0.72
Rot. Bonds5

About 5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoic acid

5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoic acid (PubChem CID 15049038) has the molecular formula C13H11NO5 and a molecular weight of 261.23 g/mol. Its IUPAC name is 5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoic acid.

Molecular Properties

Compound Name5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoic acid
PubChem CID15049038
Molecular FormulaC13H11NO5
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoic acid
SMILESO=C(O)CCC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H11NO5/c15-8(5-6-11(16)17)7-14-12(18)9-3-1-2-4-10(9)13(14)19/h1-4H,5-7H2,(H,16,17)
InChIKeyIROQTJRDINLHEO-UHFFFAOYSA-N
XLogP0.72
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-iodo-2-oxopropyl)isoindole-1,3-dione
CID 71756469
ethyl 5-(1,3-dioxoisoindol-2-yl)-4-oxo(513C)pentanoate
CID 10924265
2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine
CID 21152099
6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese
CID 174657326
4-(1,3-dioxoisoindol-2-yl)-3-oxo-N-phenylbutanamide
CID 154148523
2-(1,3-dioxoisoindol-2-yl)acetyl chloride
CID 11031536
3-[(1,3-dioxoisoindol-2-yl)methylsulfonyl]propanoic acid
CID 121012247
3-[(1,3-dioxoisoindol-2-yl)methyl-methylamino]propanoic acid
CID 60987323
carbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten
CID 158979735
2-[[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetyl]amino]acetic acid
CID 3022943
8-(1,3-dioxoisoindol-2-yl)-3-oxooctanoic acid
CID 19828637
3-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]propanoic acid
CID 14462388

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoic acid?
The IUPAC name of 5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoic acid (CID 15049038) is 5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoic acid.
What is the SMILES notation for 5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoic acid?
The canonical SMILES for 5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoic acid is O=C(O)CCC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoic acid?
The InChIKey is IROQTJRDINLHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5/c15-8(5-6-11(16)17)7-14-12(18)9-3-1-2-4-10(9)13(14)19/h1-4H,5-7H2,(H,16,17).
What are the key properties of 5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoic acid?
5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoic acid has a molecular weight of 261.23 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoic acid is sourced from PubChem (CID 15049038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).