(2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate

C10H15NO4 — CID 11206648

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate
SMILESCCCC(C)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H15NO4/c1-3-4-7(2)10(14)15-11-8(12)5-6-9(11)13/h7H,3-6H2,1-2H3
InChIKeyBQHDWWOBJKAVAI-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.03
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate

(2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate (PubChem CID 11206648) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate
PubChem CID11206648
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate
SMILESCCCC(C)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H15NO4/c1-3-4-7(2)10(14)15-11-8(12)5-6-9(11)13/h7H,3-6H2,1-2H3
InChIKeyBQHDWWOBJKAVAI-UHFFFAOYSA-N
XLogP1.03
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.03
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

N-Hydroxysuccinimide caproic acid ester
CID 152438
2,5-Dioxopyrrolidin-1-yl 3-oxocyclobutanecarboxylate
CID 59133049
butyric acid NHS ester
CID 575321
1-{[(2,2,3,3-Tetramethylcyclopropyl)carbonyl]oxy}pyrrolidine-2,5-dione
CID 794147
2,5-Dioxopyrrolidin-1-yl isobutyrate
CID 12332727
2,5-Dioxopyrrolidin-1-yl pentanoate
CID 13896427
(2,5-Dioxopyrrolidin-1-yl) 3,3-difluorocyclobutane-1-carboxylate
CID 152397322
2,5-Dioxopyrrolidin-1-yl 4-methyl-4-(methyldisulfanyl)pentanoate
CID 11709084
1-[(Cyclopentylcarbonyl)oxy]pyrrolidine-2,5-dione
CID 14181524
(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylbutanoate
CID 15356333
1-[(Cyclobutylcarbonyl)oxy]pyrrolidine-2,5-dione
CID 15927789
2,5-Dioxopyrrolidin-1-yl 4-oxopentanoate
CID 20679361

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate (CID 11206648) is (2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate is CCCC(C)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate?
The InChIKey is BQHDWWOBJKAVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-4-7(2)10(14)15-11-8(12)5-6-9(11)13/h7H,3-6H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate?
(2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate has a molecular weight of 213.23 g/mol, XLogP of 1.03, 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-methylpentanoate is sourced from PubChem (CID 11206648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).