(2,5-dioxopyrrolidin-3-yl) 2-acetamidoacetate

C8H10N2O5 — CID 21276654

IUPAC(2,5-dioxopyrrolidin-3-yl) 2-acetamidoacetate
SMILESCC(=O)NCC(=O)OC1CC(=O)NC1=O
InChIInChI=1S/C8H10N2O5/c1-4(11)9-3-7(13)15-5-2-6(12)10-8(5)14/h5H,2-3H2,1H3,(H,9,11)(H,10,12,14)
InChIKeySHQVXZZLFQJIFB-UHFFFAOYSA-N
MW214.18 g/mol
LogP-1.92
Rot. Bonds3

About (2,5-dioxopyrrolidin-3-yl) 2-acetamidoacetate

(2,5-dioxopyrrolidin-3-yl) 2-acetamidoacetate (PubChem CID 21276654) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-3-yl) 2-acetamidoacetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-3-yl) 2-acetamidoacetate
PubChem CID21276654
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Name(2,5-dioxopyrrolidin-3-yl) 2-acetamidoacetate
SMILESCC(=O)NCC(=O)OC1CC(=O)NC1=O
InChIInChI=1S/C8H10N2O5/c1-4(11)9-3-7(13)15-5-2-6(12)10-8(5)14/h5H,2-3H2,1H3,(H,9,11)(H,10,12,14)
InChIKeySHQVXZZLFQJIFB-UHFFFAOYSA-N
XLogP-1.92
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-1.92
H-Bond Donors ≤ 52
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-3-yl) 2-acetamidoacetate?
The IUPAC name of (2,5-dioxopyrrolidin-3-yl) 2-acetamidoacetate (CID 21276654) is (2,5-dioxopyrrolidin-3-yl) 2-acetamidoacetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-3-yl) 2-acetamidoacetate?
The canonical SMILES for (2,5-dioxopyrrolidin-3-yl) 2-acetamidoacetate is CC(=O)NCC(=O)OC1CC(=O)NC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-3-yl) 2-acetamidoacetate?
The InChIKey is SHQVXZZLFQJIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5/c1-4(11)9-3-7(13)15-5-2-6(12)10-8(5)14/h5H,2-3H2,1H3,(H,9,11)(H,10,12,14).
What are the key properties of (2,5-dioxopyrrolidin-3-yl) 2-acetamidoacetate?
(2,5-dioxopyrrolidin-3-yl) 2-acetamidoacetate has a molecular weight of 214.18 g/mol, XLogP of -1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-3-yl) 2-acetamidoacetate is sourced from PubChem (CID 21276654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).