(2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate

C10H12N2O5 — CID 102248477

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate
SMILESC=C(C)C(=O)NCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H12N2O5/c1-6(2)10(16)11-5-9(15)17-12-7(13)3-4-8(12)14/h1,3-5H2,2H3,(H,11,16)
InChIKeyVLHKHRZAFNBQSS-UHFFFAOYSA-N
MW240.21 g/mol
LogP-0.71
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate

(2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate (PubChem CID 102248477) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate
PubChem CID102248477
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate
SMILESC=C(C)C(=O)NCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H12N2O5/c1-6(2)10(16)11-5-9(15)17-12-7(13)3-4-8(12)14/h1,3-5H2,2H3,(H,11,16)
InChIKeyVLHKHRZAFNBQSS-UHFFFAOYSA-N
XLogP-0.71
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate (CID 102248477) is (2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate is C=C(C)C(=O)NCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate?
The InChIKey is VLHKHRZAFNBQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-6(2)10(16)11-5-9(15)17-12-7(13)3-4-8(12)14/h1,3-5H2,2H3,(H,11,16).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate?
(2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate has a molecular weight of 240.21 g/mol, XLogP of -0.71, 4 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) 2-(2-methylprop-2-enoylamino)acetate is sourced from PubChem (CID 102248477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).