1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-3-carboxylic acid

C12H16N2O4 — CID 63033066

IUPAC1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C2CC(=O)N(C3CC3)C2=O)C1
InChIInChI=1S/C12H16N2O4/c15-10-5-9(11(16)14(10)8-1-2-8)13-4-3-7(6-13)12(17)18/h7-9H,1-6H2,(H,17,18)
InChIKeyLEYHXUUAVLLUQC-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.32
Rot. Bonds3

About 1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-3-carboxylic acid

1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-3-carboxylic acid (PubChem CID 63033066) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-3-carboxylic acid
PubChem CID63033066
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C2CC(=O)N(C3CC3)C2=O)C1
InChIInChI=1S/C12H16N2O4/c15-10-5-9(11(16)14(10)8-1-2-8)13-4-3-7(6-13)12(17)18/h7-9H,1-6H2,(H,17,18)
InChIKeyLEYHXUUAVLLUQC-UHFFFAOYSA-N
XLogP-0.32
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
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 1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-3-carboxylic acid (CID 63033066) is 1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C2CC(=O)N(C3CC3)C2=O)C1.
What is the InChIKey of 1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is LEYHXUUAVLLUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-10-5-9(11(16)14(10)8-1-2-8)13-4-3-7(6-13)12(17)18/h7-9H,1-6H2,(H,17,18).
What are the key properties of 1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-3-carboxylic acid?
1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63033066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).