2-(2,5-dioxopyrrol-1-yl)-4-methyl-3-oxopentanoic acid

C10H11NO5 — CID 152668758

IUPAC2-(2,5-dioxopyrrol-1-yl)-4-methyl-3-oxopentanoic acid
SMILESCC(C)C(=O)C(C(=O)O)N1C(=O)C=CC1=O
InChIInChI=1S/C10H11NO5/c1-5(2)9(14)8(10(15)16)11-6(12)3-4-7(11)13/h3-5,8H,1-2H3,(H,15,16)
InChIKeyZLBOTHOFCNKIAI-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.41
Rot. Bonds4

About 2-(2,5-dioxopyrrol-1-yl)-4-methyl-3-oxopentanoic acid

2-(2,5-dioxopyrrol-1-yl)-4-methyl-3-oxopentanoic acid (PubChem CID 152668758) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)-4-methyl-3-oxopentanoic acid.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)-4-methyl-3-oxopentanoic acid
PubChem CID152668758
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name2-(2,5-dioxopyrrol-1-yl)-4-methyl-3-oxopentanoic acid
SMILESCC(C)C(=O)C(C(=O)O)N1C(=O)C=CC1=O
InChIInChI=1S/C10H11NO5/c1-5(2)9(14)8(10(15)16)11-6(12)3-4-7(11)13/h3-5,8H,1-2H3,(H,15,16)
InChIKeyZLBOTHOFCNKIAI-UHFFFAOYSA-N
XLogP-0.41
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-(2,5-dioxopyrrol-1-yl)hexanoic acid
CID 23174647
3-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanoic acid
CID 130388683
ethane;1-(3-oxobutan-2-yl)pyrrole-2,5-dione
CID 176999614
1-(1-amino-4-methyl-3-oxopentan-2-yl)-5-methylidenepyrrol-2-one
CID 177144734
(2S)-2-(2,5-dioxopyrrol-1-yl)pentanedioic acid
CID 82679809
2-(2,5-dioxopyrrol-1-yl)octanoic acid
CID 21116846
2-(2,5-dioxopyrrol-1-yl)undecanoic acid
CID 18477222
1-(5-hydroxyhexan-2-yl)pyrrole-2,5-dione
CID 67068197
cerium;tris(2-methylpropanoic acid)
CID 153360547
3-[[2-carboxy-2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-2-(2,5-dioxopyrrol-1-yl)propanoic acid
CID 177180351
1-(2,5-dioxopyrrol-1-yl)ethylphosphonic acid
CID 67705894
2-(2,5-dioxopyrrol-1-yl)-6-(methylamino)hexanoic acid;ethane
CID 142561754

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-4-methyl-3-oxopentanoic acid?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-4-methyl-3-oxopentanoic acid (CID 152668758) is 2-(2,5-dioxopyrrol-1-yl)-4-methyl-3-oxopentanoic acid.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)-4-methyl-3-oxopentanoic acid?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)-4-methyl-3-oxopentanoic acid is CC(C)C(=O)C(C(=O)O)N1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)-4-methyl-3-oxopentanoic acid?
The InChIKey is ZLBOTHOFCNKIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-5(2)9(14)8(10(15)16)11-6(12)3-4-7(11)13/h3-5,8H,1-2H3,(H,15,16).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)-4-methyl-3-oxopentanoic acid?
2-(2,5-dioxopyrrol-1-yl)-4-methyl-3-oxopentanoic acid has a molecular weight of 225.20 g/mol, XLogP of -0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)-4-methyl-3-oxopentanoic acid is sourced from PubChem (CID 152668758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).