methyl 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)butanoate

C11H15NO4 — CID 60975925

IUPACmethyl 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)butanoate
SMILESCOC(=O)C(C(C)C)N1C(=O)C=C(C)C1=O
InChIInChI=1S/C11H15NO4/c1-6(2)9(11(15)16-4)12-8(13)5-7(3)10(12)14/h5-6,9H,1-4H3
InChIKeyQRCNBNINCMYICJ-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.50
Rot. Bonds3

About methyl 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)butanoate

methyl 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)butanoate (PubChem CID 60975925) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is methyl 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)butanoate
PubChem CID60975925
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namemethyl 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)butanoate
SMILESCOC(=O)C(C(C)C)N1C(=O)C=C(C)C1=O
InChIInChI=1S/C11H15NO4/c1-6(2)9(11(15)16-4)12-8(13)5-7(3)10(12)14/h5-6,9H,1-4H3
InChIKeyQRCNBNINCMYICJ-UHFFFAOYSA-N
XLogP0.50
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)butanoate with MolForge

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

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide
CID 60976863
methyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 67305870
methyl (2S)-2-[(1S,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-methylbutanoate
CID 6544778
1-(4-hydroxybutan-2-yl)-3-methylpyrrole-2,5-dione
CID 83188112
3-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-2,5-dione
CID 113408640
methyl 3-methyl-2-(7-methyl-3-oxo-1,2-benzothiazol-2-yl)butanoate
CID 20810332
methyl 3-methyl-2-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)butanoate
CID 115947465
methyl 2-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-3-methylbutanoate
CID 115947468
2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanedioic acid
CID 22403510
methyl 3-methyl-2-pyrrolidin-1-ylbutanoate
CID 43866498
methyl (2S)-2-(2,5-dioxopyrrol-1-yl)-3-hydroxypropanoate
CID 101212710
methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate
CID 30031078

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)butanoate?
The IUPAC name of methyl 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)butanoate (CID 60975925) is methyl 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)butanoate.
What is the SMILES notation for methyl 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)butanoate?
The canonical SMILES for methyl 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)butanoate is COC(=O)C(C(C)C)N1C(=O)C=C(C)C1=O.
What is the InChIKey of methyl 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)butanoate?
The InChIKey is QRCNBNINCMYICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-6(2)9(11(15)16-4)12-8(13)5-7(3)10(12)14/h5-6,9H,1-4H3.
What are the key properties of methyl 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)butanoate?
methyl 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)butanoate has a molecular weight of 225.24 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)butanoate is sourced from PubChem (CID 60975925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).