7-(5-oxaspiro[3.5]nonan-8-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C15H23NO3 — CID 79893837

IUPAC7-(5-oxaspiro[3.5]nonan-8-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1CC2CCC1N2C1CCOC2(CCC2)C1
InChIInChI=1S/C15H23NO3/c17-14(18)12-8-10-2-3-13(12)16(10)11-4-7-19-15(9-11)5-1-6-15/h10-13H,1-9H2,(H,17,18)
InChIKeyZRJBBHBISCOBHR-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.03
Rot. Bonds2

About 7-(5-oxaspiro[3.5]nonan-8-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-(5-oxaspiro[3.5]nonan-8-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 79893837) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 7-(5-oxaspiro[3.5]nonan-8-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-(5-oxaspiro[3.5]nonan-8-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID79893837
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name7-(5-oxaspiro[3.5]nonan-8-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1CC2CCC1N2C1CCOC2(CCC2)C1
InChIInChI=1S/C15H23NO3/c17-14(18)12-8-10-2-3-13(12)16(10)11-4-7-19-15(9-11)5-1-6-15/h10-13H,1-9H2,(H,17,18)
InChIKeyZRJBBHBISCOBHR-UHFFFAOYSA-N
XLogP2.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(5-oxaspiro[3.5]nonan-8-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid with MolForge

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Related Compounds

1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid
CID 79894727
1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylic acid
CID 79893963
7-(2,2-dimethylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79853136
7-(2,2,5,5-tetramethyloxolan-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79933602
2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid
CID 79894445
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 79894133
2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid
CID 79902227
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
7-(1-aminocyclobutanecarbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 81168826
3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid
CID 79894201
1-(6-oxaspiro[4.5]decan-9-yl)pyrazole-3-carboxylic acid
CID 79893998
[6-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]methanamine
CID 79900005

Frequently Asked Questions

What is the IUPAC name of 7-(5-oxaspiro[3.5]nonan-8-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-(5-oxaspiro[3.5]nonan-8-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 79893837) is 7-(5-oxaspiro[3.5]nonan-8-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-(5-oxaspiro[3.5]nonan-8-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-(5-oxaspiro[3.5]nonan-8-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1CC2CCC1N2C1CCOC2(CCC2)C1.
What is the InChIKey of 7-(5-oxaspiro[3.5]nonan-8-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is ZRJBBHBISCOBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c17-14(18)12-8-10-2-3-13(12)16(10)11-4-7-19-15(9-11)5-1-6-15/h10-13H,1-9H2,(H,17,18).
What are the key properties of 7-(5-oxaspiro[3.5]nonan-8-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-(5-oxaspiro[3.5]nonan-8-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-oxaspiro[3.5]nonan-8-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 79893837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).