1-(6-propoxypyrazin-2-yl)-2-propylpyrrolidine-2-carboxylic acid

C15H23N3O3 — CID 106977706

IUPAC1-(6-propoxypyrazin-2-yl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCOc1cncc(N2CCCC2(CCC)C(=O)O)n1
InChIInChI=1S/C15H23N3O3/c1-3-6-15(14(19)20)7-5-8-18(15)12-10-16-11-13(17-12)21-9-4-2/h10-11H,3-9H2,1-2H3,(H,19,20)
InChIKeyJOBRAGHYCCFLRM-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.49
Rot. Bonds7

About 1-(6-propoxypyrazin-2-yl)-2-propylpyrrolidine-2-carboxylic acid

1-(6-propoxypyrazin-2-yl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106977706) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(6-propoxypyrazin-2-yl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-propoxypyrazin-2-yl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106977706
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-(6-propoxypyrazin-2-yl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCOc1cncc(N2CCCC2(CCC)C(=O)O)n1
InChIInChI=1S/C15H23N3O3/c1-3-6-15(14(19)20)7-5-8-18(15)12-10-16-11-13(17-12)21-9-4-2/h10-11H,3-9H2,1-2H3,(H,19,20)
InChIKeyJOBRAGHYCCFLRM-UHFFFAOYSA-N
XLogP2.49
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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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Related Compounds

2-ethyl-1-(6-methoxypyrazin-2-yl)pyrrolidine-2-carboxylic acid
CID 83070789
2-propyl-1-quinoxalin-2-ylpyrrolidine-2-carboxylic acid
CID 106977590
1-(4,6-dimethoxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977561
2-propyl-1-pyrido[2,3-b]pyrazin-6-ylpyrrolidine-2-carboxylic acid
CID 106977674
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136959737
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792246
1-(4-propan-2-yloxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977681
1-(4-methyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977692
1-(2-carbamoyl-4-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977589
1-phthalazin-1-yl-2-propylpyrrolidine-2-carboxylic acid
CID 106977500
1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436121
2-propyl-1-(7H-purin-6-yl)pyrrolidine-2-carboxylic acid
CID 106977510

Frequently Asked Questions

What is the IUPAC name of 1-(6-propoxypyrazin-2-yl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(6-propoxypyrazin-2-yl)-2-propylpyrrolidine-2-carboxylic acid (CID 106977706) is 1-(6-propoxypyrazin-2-yl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-propoxypyrazin-2-yl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(6-propoxypyrazin-2-yl)-2-propylpyrrolidine-2-carboxylic acid is CCCOc1cncc(N2CCCC2(CCC)C(=O)O)n1.
What is the InChIKey of 1-(6-propoxypyrazin-2-yl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is JOBRAGHYCCFLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-6-15(14(19)20)7-5-8-18(15)12-10-16-11-13(17-12)21-9-4-2/h10-11H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 1-(6-propoxypyrazin-2-yl)-2-propylpyrrolidine-2-carboxylic acid?
1-(6-propoxypyrazin-2-yl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-propoxypyrazin-2-yl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106977706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).