7-(2,2,5,5-tetramethyloxolan-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C15H25NO3 — CID 79933602

IUPAC7-(2,2,5,5-tetramethyloxolan-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC1(C)CC(N2C3CCC2C(C(=O)O)C3)C(C)(C)O1
InChIInChI=1S/C15H25NO3/c1-14(2)8-12(15(3,4)19-14)16-9-5-6-11(16)10(7-9)13(17)18/h9-12H,5-8H2,1-4H3,(H,17,18)
InChIKeyARMLADDNVCDSQJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.27
Rot. Bonds2

About 7-(2,2,5,5-tetramethyloxolan-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-(2,2,5,5-tetramethyloxolan-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 79933602) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 7-(2,2,5,5-tetramethyloxolan-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-(2,2,5,5-tetramethyloxolan-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID79933602
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name7-(2,2,5,5-tetramethyloxolan-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC1(C)CC(N2C3CCC2C(C(=O)O)C3)C(C)(C)O1
InChIInChI=1S/C15H25NO3/c1-14(2)8-12(15(3,4)19-14)16-9-5-6-11(16)10(7-9)13(17)18/h9-12H,5-8H2,1-4H3,(H,17,18)
InChIKeyARMLADDNVCDSQJ-UHFFFAOYSA-N
XLogP2.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(2,2,5,5-tetramethyloxolan-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid with MolForge

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Related Compounds

7-(2,2-dimethylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79853136
8-(2,2,5,5-tetramethyloxolan-3-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 114623876
7-(4,4-dimethylthian-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79955922
1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-3-carboxylic acid
CID 79934218
4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-2-carboxylic acid
CID 114621834
1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-4-carboxylic acid
CID 79933599
7-(5-oxaspiro[3.5]nonan-8-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79893837
7-(1,5-dimethylpyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 81468358
7-[(5,5-dimethyloxolan-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 116522744
7-methylsulfinyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 127006196
2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid
CID 79933505
1-(2,2,5,5-tetramethyloxolan-3-yl)azetidin-3-ol
CID 114623874

Frequently Asked Questions

What is the IUPAC name of 7-(2,2,5,5-tetramethyloxolan-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-(2,2,5,5-tetramethyloxolan-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 79933602) is 7-(2,2,5,5-tetramethyloxolan-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-(2,2,5,5-tetramethyloxolan-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-(2,2,5,5-tetramethyloxolan-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is CC1(C)CC(N2C3CCC2C(C(=O)O)C3)C(C)(C)O1.
What is the InChIKey of 7-(2,2,5,5-tetramethyloxolan-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is ARMLADDNVCDSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-14(2)8-12(15(3,4)19-14)16-9-5-6-11(16)10(7-9)13(17)18/h9-12H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 7-(2,2,5,5-tetramethyloxolan-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-(2,2,5,5-tetramethyloxolan-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2,5,5-tetramethyloxolan-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 79933602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).