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

C15H21NO4 — CID 61290281

IUPAC1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclohexane-1-carboxylic acid
SMILESO=C1CC2(CCCC2)C(=O)N1C1(C(=O)O)CCCCC1
InChIInChI=1S/C15H21NO4/c17-11-10-14(6-4-5-7-14)12(18)16(11)15(13(19)20)8-2-1-3-9-15/h1-10H2,(H,19,20)
InChIKeyHUNGNFOBLJEOLI-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.09
Rot. Bonds2

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

1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 61290281) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclohexane-1-carboxylic acid
PubChem CID61290281
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclohexane-1-carboxylic acid
SMILESO=C1CC2(CCCC2)C(=O)N1C1(C(=O)O)CCCCC1
InChIInChI=1S/C15H21NO4/c17-11-10-14(6-4-5-7-14)12(18)16(11)15(13(19)20)8-2-1-3-9-15/h1-10H2,(H,19,20)
InChIKeyHUNGNFOBLJEOLI-UHFFFAOYSA-N
XLogP2.09
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclohexane-1-carboxylic acid (CID 61290281) is 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclohexane-1-carboxylic acid is O=C1CC2(CCCC2)C(=O)N1C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is HUNGNFOBLJEOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c17-11-10-14(6-4-5-7-14)12(18)16(11)15(13(19)20)8-2-1-3-9-15/h1-10H2,(H,19,20).
What are the key properties of 1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclohexane-1-carboxylic acid?
1-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 2.09, 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)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61290281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).