(2,5-dioxopyrrolidin-1-yl) 3-ethyl-5-hydroxypentanoate

C11H17NO5 — CID 89242702

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-ethyl-5-hydroxypentanoate
SMILESCCC(CCO)CC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H17NO5/c1-2-8(5-6-13)7-11(16)17-12-9(14)3-4-10(12)15/h8,13H,2-7H2,1H3
InChIKeyREPUMFFYTHOIOI-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.39
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 3-ethyl-5-hydroxypentanoate

(2,5-dioxopyrrolidin-1-yl) 3-ethyl-5-hydroxypentanoate (PubChem CID 89242702) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-ethyl-5-hydroxypentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-ethyl-5-hydroxypentanoate
PubChem CID89242702
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-ethyl-5-hydroxypentanoate
SMILESCCC(CCO)CC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H17NO5/c1-2-8(5-6-13)7-11(16)17-12-9(14)3-4-10(12)15/h8,13H,2-7H2,1H3
InChIKeyREPUMFFYTHOIOI-UHFFFAOYSA-N
XLogP0.39
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-ethyl-5-hydroxypentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-ethyl-5-hydroxypentanoate (CID 89242702) is (2,5-dioxopyrrolidin-1-yl) 3-ethyl-5-hydroxypentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-ethyl-5-hydroxypentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-ethyl-5-hydroxypentanoate is CCC(CCO)CC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-ethyl-5-hydroxypentanoate?
The InChIKey is REPUMFFYTHOIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-2-8(5-6-13)7-11(16)17-12-9(14)3-4-10(12)15/h8,13H,2-7H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-ethyl-5-hydroxypentanoate?
(2,5-dioxopyrrolidin-1-yl) 3-ethyl-5-hydroxypentanoate has a molecular weight of 243.26 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-ethyl-5-hydroxypentanoate is sourced from PubChem (CID 89242702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).