2-ethyl-1-(6-methoxypyrazin-2-yl)pyrrolidine-2-carboxylic acid

C12H17N3O3 — CID 83070789

IUPAC2-ethyl-1-(6-methoxypyrazin-2-yl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1c1cncc(OC)n1
InChIInChI=1S/C12H17N3O3/c1-3-12(11(16)17)5-4-6-15(12)9-7-13-8-10(14-9)18-2/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyQCFPJDPGJCBPHT-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.32
Rot. Bonds4

About 2-ethyl-1-(6-methoxypyrazin-2-yl)pyrrolidine-2-carboxylic acid

2-ethyl-1-(6-methoxypyrazin-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 83070789) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-ethyl-1-(6-methoxypyrazin-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(6-methoxypyrazin-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID83070789
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-ethyl-1-(6-methoxypyrazin-2-yl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1c1cncc(OC)n1
InChIInChI=1S/C12H17N3O3/c1-3-12(11(16)17)5-4-6-15(12)9-7-13-8-10(14-9)18-2/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyQCFPJDPGJCBPHT-UHFFFAOYSA-N
XLogP1.32
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(6-methoxypyrazin-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(6-methoxypyrazin-2-yl)pyrrolidine-2-carboxylic acid (CID 83070789) is 2-ethyl-1-(6-methoxypyrazin-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(6-methoxypyrazin-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(6-methoxypyrazin-2-yl)pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1c1cncc(OC)n1.
What is the InChIKey of 2-ethyl-1-(6-methoxypyrazin-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is QCFPJDPGJCBPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-12(11(16)17)5-4-6-15(12)9-7-13-8-10(14-9)18-2/h7-8H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-ethyl-1-(6-methoxypyrazin-2-yl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(6-methoxypyrazin-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(6-methoxypyrazin-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83070789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).