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

C11H14N2O5 — CID 139619242

IUPAC(3-methyl-2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate
SMILESC=C(C)C(=O)NCC(=O)ON1C(=O)CC(C)C1=O
InChIInChI=1S/C11H14N2O5/c1-6(2)10(16)12-5-9(15)18-13-8(14)4-7(3)11(13)17/h7H,1,4-5H2,2-3H3,(H,12,16)
InChIKeyRAFCWSHCCTUUPO-UHFFFAOYSA-N
MW254.24 g/mol
LogP-0.47
Rot. Bonds4

About (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate

(3-methyl-2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate (PubChem CID 139619242) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate.

Molecular Properties

Compound Name(3-methyl-2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate
PubChem CID139619242
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name(3-methyl-2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate
SMILESC=C(C)C(=O)NCC(=O)ON1C(=O)CC(C)C1=O
InChIInChI=1S/C11H14N2O5/c1-6(2)10(16)12-5-9(15)18-13-8(14)4-7(3)11(13)17/h7H,1,4-5H2,2-3H3,(H,12,16)
InChIKeyRAFCWSHCCTUUPO-UHFFFAOYSA-N
XLogP-0.47
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.47
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 (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate?
The IUPAC name of (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate (CID 139619242) is (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate.
What is the SMILES notation for (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate?
The canonical SMILES for (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate is C=C(C)C(=O)NCC(=O)ON1C(=O)CC(C)C1=O.
What is the InChIKey of (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate?
The InChIKey is RAFCWSHCCTUUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-6(2)10(16)12-5-9(15)18-13-8(14)4-7(3)11(13)17/h7H,1,4-5H2,2-3H3,(H,12,16).
What are the key properties of (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate?
(3-methyl-2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate has a molecular weight of 254.24 g/mol, XLogP of -0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-(2-methylprop-2-enoylamino)acetate is sourced from PubChem (CID 139619242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).