3-(2,5-dioxopyrrol-1-yl)-2-hydroxy-2-methylpropanoic acid

C8H9NO5 — CID 66172024

IUPAC3-(2,5-dioxopyrrol-1-yl)-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CN1C(=O)C=CC1=O)C(=O)O
InChIInChI=1S/C8H9NO5/c1-8(14,7(12)13)4-9-5(10)2-3-6(9)11/h2-3,14H,4H2,1H3,(H,12,13)
InChIKeyGSQXYVXZRBLZGS-UHFFFAOYSA-N
MW199.16 g/mol
LogP-1.25
Rot. Bonds3

About 3-(2,5-dioxopyrrol-1-yl)-2-hydroxy-2-methylpropanoic acid

3-(2,5-dioxopyrrol-1-yl)-2-hydroxy-2-methylpropanoic acid (PubChem CID 66172024) has the molecular formula C8H9NO5 and a molecular weight of 199.16 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-2-hydroxy-2-methylpropanoic acid
PubChem CID66172024
Molecular FormulaC8H9NO5
Molecular Weight199.16 g/mol
Exact Mass199.05
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CN1C(=O)C=CC1=O)C(=O)O
InChIInChI=1S/C8H9NO5/c1-8(14,7(12)13)4-9-5(10)2-3-6(9)11/h2-3,14H,4H2,1H3,(H,12,13)
InChIKeyGSQXYVXZRBLZGS-UHFFFAOYSA-N
XLogP-1.25
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,5-dioxopyrrol-1-yl)-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-2-hydroxy-2-methylpropanoic acid (CID 66172024) is 3-(2,5-dioxopyrrol-1-yl)-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-2-hydroxy-2-methylpropanoic acid is CC(O)(CN1C(=O)C=CC1=O)C(=O)O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-2-hydroxy-2-methylpropanoic acid?
The InChIKey is GSQXYVXZRBLZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO5/c1-8(14,7(12)13)4-9-5(10)2-3-6(9)11/h2-3,14H,4H2,1H3,(H,12,13).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-2-hydroxy-2-methylpropanoic acid?
3-(2,5-dioxopyrrol-1-yl)-2-hydroxy-2-methylpropanoic acid has a molecular weight of 199.16 g/mol, XLogP of -1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66172024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).