3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid

C9H10N2O4 — CID 158348982

IUPAC3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid
SMILESCN1CC(C(=O)O)(N2C(=O)C=CC2=O)C1
InChIInChI=1S/C9H10N2O4/c1-10-4-9(5-10,8(14)15)11-6(12)2-3-7(11)13/h2-3H,4-5H2,1H3,(H,14,15)
InChIKeyWMYKOEZAXMMRFT-UHFFFAOYSA-N
MW210.19 g/mol
LogP-1.32
Rot. Bonds2

About 3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid

3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid (PubChem CID 158348982) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid
PubChem CID158348982
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid
SMILESCN1CC(C(=O)O)(N2C(=O)C=CC2=O)C1
InChIInChI=1S/C9H10N2O4/c1-10-4-9(5-10,8(14)15)11-6(12)2-3-7(11)13/h2-3H,4-5H2,1H3,(H,14,15)
InChIKeyWMYKOEZAXMMRFT-UHFFFAOYSA-N
XLogP-1.32
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-Dioxopyrrol-1-yl)azetidine-3-carboxylic acid
CID 134249524
3-(2,5-Dioxopyrrol-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 134249691
1-Methyl-3-(prop-2-enoylamino)azetidine-3-carboxylic acid
CID 135175940
3-(2,5-Dioxopyrrol-1-yl)-1-[hydroxy(methyl)boranyl]azetidine-3-carboxylic acid
CID 141678541
3-(2,5-Dioxopyrrol-1-yl)azetidin-1-ium-3-carboxylate
CID 141678546
3-(2,5-Dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid;methane;phosphane
CID 158348981
1-Ethyl-3-(prop-2-enoylamino)azetidine-3-carboxylic acid
CID 167076187

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid (CID 158348982) is 3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid is CN1CC(C(=O)O)(N2C(=O)C=CC2=O)C1.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid?
The InChIKey is WMYKOEZAXMMRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-10-4-9(5-10,8(14)15)11-6(12)2-3-7(11)13/h2-3H,4-5H2,1H3,(H,14,15).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid?
3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of -1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid is sourced from PubChem (CID 158348982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).