1-(4-propan-2-yloxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid

C15H23N3O3 — CID 106977681

IUPAC1-(4-propan-2-yloxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1c1nccc(OC(C)C)n1
InChIInChI=1S/C15H23N3O3/c1-4-7-15(13(19)20)8-5-10-18(15)14-16-9-6-12(17-14)21-11(2)3/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,19,20)
InChIKeyJAAXCLWTHRAEND-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.49
Rot. Bonds6

About 1-(4-propan-2-yloxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid

1-(4-propan-2-yloxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106977681) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(4-propan-2-yloxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-propan-2-yloxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106977681
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-(4-propan-2-yloxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1c1nccc(OC(C)C)n1
InChIInChI=1S/C15H23N3O3/c1-4-7-15(13(19)20)8-5-10-18(15)14-16-9-6-12(17-14)21-11(2)3/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,19,20)
InChIKeyJAAXCLWTHRAEND-UHFFFAOYSA-N
XLogP2.49
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-propan-2-yloxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid (CID 106977681) is 1-(4-propan-2-yloxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-propan-2-yloxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-propan-2-yloxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1c1nccc(OC(C)C)n1.
What is the InChIKey of 1-(4-propan-2-yloxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is JAAXCLWTHRAEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-7-15(13(19)20)8-5-10-18(15)14-16-9-6-12(17-14)21-11(2)3/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,19,20).
What are the key properties of 1-(4-propan-2-yloxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid?
1-(4-propan-2-yloxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106977681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).