(2,5-dioxopyrrolidin-1-yl) 3-propan-2-yloxypropanoate

C10H15NO5 — CID 121263313

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-propan-2-yloxypropanoate
SMILESCC(C)OCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H15NO5/c1-7(2)15-6-5-10(14)16-11-8(12)3-4-9(11)13/h7H,3-6H2,1-2H3
InChIKeyUFQAYJFJCACPSP-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.41
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 3-propan-2-yloxypropanoate

(2,5-dioxopyrrolidin-1-yl) 3-propan-2-yloxypropanoate (PubChem CID 121263313) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-propan-2-yloxypropanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-propan-2-yloxypropanoate
PubChem CID121263313
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-propan-2-yloxypropanoate
SMILESCC(C)OCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H15NO5/c1-7(2)15-6-5-10(14)16-11-8(12)3-4-9(11)13/h7H,3-6H2,1-2H3
InChIKeyUFQAYJFJCACPSP-UHFFFAOYSA-N
XLogP0.41
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.41
H-Bond Donors ≤ 50
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-propan-2-yloxypropanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-propan-2-yloxypropanoate (CID 121263313) is (2,5-dioxopyrrolidin-1-yl) 3-propan-2-yloxypropanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-propan-2-yloxypropanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-propan-2-yloxypropanoate is CC(C)OCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-propan-2-yloxypropanoate?
The InChIKey is UFQAYJFJCACPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-7(2)15-6-5-10(14)16-11-8(12)3-4-9(11)13/h7H,3-6H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-propan-2-yloxypropanoate?
(2,5-dioxopyrrolidin-1-yl) 3-propan-2-yloxypropanoate has a molecular weight of 229.23 g/mol, XLogP of 0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-propan-2-yloxypropanoate is sourced from PubChem (CID 121263313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).