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

C13H18N2O4 — CID 43638756

IUPAC1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C13H18N2O4/c16-11-7-10(12(17)15(11)8-4-5-8)14-6-2-1-3-9(14)13(18)19/h8-10H,1-7H2,(H,18,19)
InChIKeyAJYKNPJGONEWNX-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.22
Rot. Bonds3

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

1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid (PubChem CID 43638756) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid
PubChem CID43638756
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C13H18N2O4/c16-11-7-10(12(17)15(11)8-4-5-8)14-6-2-1-3-9(14)13(18)19/h8-10H,1-7H2,(H,18,19)
InChIKeyAJYKNPJGONEWNX-UHFFFAOYSA-N
XLogP0.22
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.22
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)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid (CID 43638756) is 1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C1CC(=O)N(C2CC2)C1=O.
What is the InChIKey of 1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid?
The InChIKey is AJYKNPJGONEWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c16-11-7-10(12(17)15(11)8-4-5-8)14-6-2-1-3-9(14)13(18)19/h8-10H,1-7H2,(H,18,19).
What are the key properties of 1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid?
1-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.22, 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)piperidine-2-carboxylic acid is sourced from PubChem (CID 43638756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).