3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid

C11H15NO4 — CID 43345960

IUPAC3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid
SMILESCCC(C)C(C(=O)O)N1C(=O)C=C(C)C1=O
InChIInChI=1S/C11H15NO4/c1-4-6(2)9(11(15)16)12-8(13)5-7(3)10(12)14/h5-6,9H,4H2,1-3H3,(H,15,16)
InChIKeyALYCEAHSOWACTO-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.80
Rot. Bonds4

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

3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid (PubChem CID 43345960) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid
PubChem CID43345960
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid
SMILESCCC(C)C(C(=O)O)N1C(=O)C=C(C)C1=O
InChIInChI=1S/C11H15NO4/c1-4-6(2)9(11(15)16)12-8(13)5-7(3)10(12)14/h5-6,9H,4H2,1-3H3,(H,15,16)
InChIKeyALYCEAHSOWACTO-UHFFFAOYSA-N
XLogP0.80
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid?
The IUPAC name of 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid (CID 43345960) is 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid.
What is the SMILES notation for 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid?
The canonical SMILES for 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid is CCC(C)C(C(=O)O)N1C(=O)C=C(C)C1=O.
What is the InChIKey of 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid?
The InChIKey is ALYCEAHSOWACTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-4-6(2)9(11(15)16)12-8(13)5-7(3)10(12)14/h5-6,9H,4H2,1-3H3,(H,15,16).
What are the key properties of 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid?
3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid has a molecular weight of 225.24 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid is sourced from PubChem (CID 43345960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).