(2,5-dioxopyrrolidin-1-yl) 2-(2-methylpropyl)benzoate

C15H17NO4 — CID 166873105

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(2-methylpropyl)benzoate
SMILESCC(C)Cc1ccccc1C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H17NO4/c1-10(2)9-11-5-3-4-6-12(11)15(19)20-16-13(17)7-8-14(16)18/h3-6,10H,7-9H2,1-2H3
InChIKeyADWJGFXHJCMUIJ-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.11
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 2-(2-methylpropyl)benzoate

(2,5-dioxopyrrolidin-1-yl) 2-(2-methylpropyl)benzoate (PubChem CID 166873105) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(2-methylpropyl)benzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(2-methylpropyl)benzoate
PubChem CID166873105
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(2-methylpropyl)benzoate
SMILESCC(C)Cc1ccccc1C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H17NO4/c1-10(2)9-11-5-3-4-6-12(11)15(19)20-16-13(17)7-8-14(16)18/h3-6,10H,7-9H2,1-2H3
InChIKeyADWJGFXHJCMUIJ-UHFFFAOYSA-N
XLogP2.11
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.11
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

2-(2-methylpropyl)benzenecarboperoxoic acid
CID 87614566
(2,5-dioxopyrrolidin-1-yl) 2-propan-2-ylbenzoate;2-propan-2-ylbenzoyl chloride
CID 142951226
(2,5-dioxopyrrolidin-1-yl) 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methylamino)-4-phenylbutyl]benzoate
CID 59904113
bis[[2-(2-methylpropyl)phenyl]methyl] benzene-1,2-dicarboxylate
CID 66626911
(2,5-dioxopyrrolidin-1-yl) 2-[(pyridin-2-yldisulfanyl)methyl]benzoate
CID 87286460
(2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 10518539
(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 15817683
methyl 2-[[(2S)-1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxo-3-phenylpropan-2-yl]amino]benzoate
CID 87429404
(2,5-dioxopyrrolidin-1-yl) 2,6-dimethylpyridine-3-carboxylate
CID 11334130
(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]benzoate
CID 167361533
(2,5-dioxopyrrolidin-1-yl) 2-(2-propan-2-ylphenyl)sulfanylacetate
CID 155271019
(2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate
CID 19911288

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(2-methylpropyl)benzoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(2-methylpropyl)benzoate (CID 166873105) is (2,5-dioxopyrrolidin-1-yl) 2-(2-methylpropyl)benzoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(2-methylpropyl)benzoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(2-methylpropyl)benzoate is CC(C)Cc1ccccc1C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(2-methylpropyl)benzoate?
The InChIKey is ADWJGFXHJCMUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10(2)9-11-5-3-4-6-12(11)15(19)20-16-13(17)7-8-14(16)18/h3-6,10H,7-9H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(2-methylpropyl)benzoate?
(2,5-dioxopyrrolidin-1-yl) 2-(2-methylpropyl)benzoate has a molecular weight of 275.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-(2-methylpropyl)benzoate is sourced from PubChem (CID 166873105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).