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

C14H15NO4 — CID 75674147

IUPACpropan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCC(C)OC(=O)C(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H15NO4/c1-8(2)19-14(18)9(3)15-12(16)10-6-4-5-7-11(10)13(15)17/h4-9H,1-3H3
InChIKeyULYLJFSXONJGSC-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.62
Rot. Bonds3

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

propan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 75674147) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is propan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate
PubChem CID75674147
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namepropan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCC(C)OC(=O)C(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H15NO4/c1-8(2)19-14(18)9(3)15-12(16)10-6-4-5-7-11(10)13(15)17/h4-9H,1-3H3
InChIKeyULYLJFSXONJGSC-UHFFFAOYSA-N
XLogP1.62
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.62
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

[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926563
[(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926560
[(1R)-1-phenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926307
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2597358
2-oxopropyl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 42970136
ethenyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 693846
[(1S)-2-oxo-1,2-diphenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926233
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926677
2-(3-oxobutan-2-yl)isoindole-1,3-dione
CID 12910747
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8521665
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8521664
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2596961

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of propan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate (CID 75674147) is propan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for propan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for propan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate is CC(C)OC(=O)C(C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of propan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is ULYLJFSXONJGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-8(2)19-14(18)9(3)15-12(16)10-6-4-5-7-11(10)13(15)17/h4-9H,1-3H3.
What are the key properties of propan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate?
propan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 261.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 75674147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).