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

C11H14N2O5 — CID 19793079

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-(2-methylprop-2-enoylamino)propanoate
SMILESC=C(C)C(=O)NCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H14N2O5/c1-7(2)11(17)12-6-5-10(16)18-13-8(14)3-4-9(13)15/h1,3-6H2,2H3,(H,12,17)
InChIKeyBPCZWSJRYBABMT-UHFFFAOYSA-N
MW254.24 g/mol
LogP-0.32
Rot. Bonds5

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

(2,5-dioxopyrrolidin-1-yl) 3-(2-methylprop-2-enoylamino)propanoate (PubChem CID 19793079) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-(2-methylprop-2-enoylamino)propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-(2-methylprop-2-enoylamino)propanoate
PubChem CID19793079
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-(2-methylprop-2-enoylamino)propanoate
SMILESC=C(C)C(=O)NCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H14N2O5/c1-7(2)11(17)12-6-5-10(16)18-13-8(14)3-4-9(13)15/h1,3-6H2,2H3,(H,12,17)
InChIKeyBPCZWSJRYBABMT-UHFFFAOYSA-N
XLogP-0.32
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.32
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'}

Analyze (2,5-dioxopyrrolidin-1-yl) 3-(2-methylprop-2-enoylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(2-methylprop-2-enoylamino)propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(2-methylprop-2-enoylamino)propanoate (CID 19793079) is (2,5-dioxopyrrolidin-1-yl) 3-(2-methylprop-2-enoylamino)propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-(2-methylprop-2-enoylamino)propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-(2-methylprop-2-enoylamino)propanoate is C=C(C)C(=O)NCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-(2-methylprop-2-enoylamino)propanoate?
The InChIKey is BPCZWSJRYBABMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-7(2)11(17)12-6-5-10(16)18-13-8(14)3-4-9(13)15/h1,3-6H2,2H3,(H,12,17).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-(2-methylprop-2-enoylamino)propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-(2-methylprop-2-enoylamino)propanoate has a molecular weight of 254.24 g/mol, XLogP of -0.32, 5 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-(2-methylprop-2-enoylamino)propanoate is sourced from PubChem (CID 19793079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).