1-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

C15H26N2O2 — CID 106984775

IUPAC1-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C2CN3CCC2CC3)C1
InChIInChI=1S/C15H26N2O2/c1-11(2)15(14(18)19)5-8-17(10-15)13-9-16-6-3-12(13)4-7-16/h11-13H,3-10H2,1-2H3,(H,18,19)
InChIKeyCVCUEMFUJOLWCP-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.51
Rot. Bonds3

About 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106984775) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106984775
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C2CN3CCC2CC3)C1
InChIInChI=1S/C15H26N2O2/c1-11(2)15(14(18)19)5-8-17(10-15)13-9-16-6-3-12(13)4-7-16/h11-13H,3-10H2,1-2H3,(H,18,19)
InChIKeyCVCUEMFUJOLWCP-UHFFFAOYSA-N
XLogP1.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984747
1-(2-methylthian-3-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984719
3-propan-2-yl-1-(thian-4-yl)pyrrolidine-3-carboxylic acid
CID 106984771
3-propan-2-yl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-3-carboxylic acid
CID 106984768
2-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]propanoic acid
CID 65062890
1-(1-cyclohexylethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984811
4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid
CID 79425643
1-ethyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984242
1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983873
1-(1-azabicyclo[2.2.2]octan-3-yl)-N,4-dimethylpiperidin-4-amine
CID 113282811
1-(3-methoxypyrrolidine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984110
1-(1-cyclobutylpropan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984632

Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106984775) is 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)C1(C(=O)O)CCN(C2CN3CCC2CC3)C1.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is CVCUEMFUJOLWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11(2)15(14(18)19)5-8-17(10-15)13-9-16-6-3-12(13)4-7-16/h11-13H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 266.38 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106984775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).