1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclopentane-1-carboxylic acid

C14H19NO4 — CID 61290643

IUPAC1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclopentane-1-carboxylic acid
SMILESO=C1CC2(CCCC2)C(=O)N1C1(C(=O)O)CCCC1
InChIInChI=1S/C14H19NO4/c16-10-9-13(5-1-2-6-13)11(17)15(10)14(12(18)19)7-3-4-8-14/h1-9H2,(H,18,19)
InChIKeyYRXBJJKKUPIQEP-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.70
Rot. Bonds2

About 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclopentane-1-carboxylic acid

1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclopentane-1-carboxylic acid (PubChem CID 61290643) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclopentane-1-carboxylic acid
PubChem CID61290643
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclopentane-1-carboxylic acid
SMILESO=C1CC2(CCCC2)C(=O)N1C1(C(=O)O)CCCC1
InChIInChI=1S/C14H19NO4/c16-10-9-13(5-1-2-6-13)11(17)15(10)14(12(18)19)7-3-4-8-14/h1-9H2,(H,18,19)
InChIKeyYRXBJJKKUPIQEP-UHFFFAOYSA-N
XLogP1.70
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclopentane-1-carboxylic acid (CID 61290643) is 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclopentane-1-carboxylic acid is O=C1CC2(CCCC2)C(=O)N1C1(C(=O)O)CCCC1.
What is the InChIKey of 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclopentane-1-carboxylic acid?
The InChIKey is YRXBJJKKUPIQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c16-10-9-13(5-1-2-6-13)11(17)15(10)14(12(18)19)7-3-4-8-14/h1-9H2,(H,18,19).
What are the key properties of 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclopentane-1-carboxylic acid?
1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclopentane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61290643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).