1-(3-cyanopyrazin-2-yl)-4-methoxypyrrolidine-2-carboxylic acid

C11H12N4O3 — CID 62672850

IUPAC1-(3-cyanopyrazin-2-yl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(c2nccnc2C#N)C1
InChIInChI=1S/C11H12N4O3/c1-18-7-4-9(11(16)17)15(6-7)10-8(5-12)13-2-3-14-10/h2-3,7,9H,4,6H2,1H3,(H,16,17)
InChIKeyZRZNIAORHWNVFI-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.03
Rot. Bonds3

About 1-(3-cyanopyrazin-2-yl)-4-methoxypyrrolidine-2-carboxylic acid

1-(3-cyanopyrazin-2-yl)-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 62672850) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-(3-cyanopyrazin-2-yl)-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyanopyrazin-2-yl)-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID62672850
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name1-(3-cyanopyrazin-2-yl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(c2nccnc2C#N)C1
InChIInChI=1S/C11H12N4O3/c1-18-7-4-9(11(16)17)15(6-7)10-8(5-12)13-2-3-14-10/h2-3,7,9H,4,6H2,1H3,(H,16,17)
InChIKeyZRZNIAORHWNVFI-UHFFFAOYSA-N
XLogP0.03
TPSA99.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanopyrazin-2-yl)-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-cyanopyrazin-2-yl)-4-methoxypyrrolidine-2-carboxylic acid (CID 62672850) is 1-(3-cyanopyrazin-2-yl)-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-cyanopyrazin-2-yl)-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-cyanopyrazin-2-yl)-4-methoxypyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(c2nccnc2C#N)C1.
What is the InChIKey of 1-(3-cyanopyrazin-2-yl)-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is ZRZNIAORHWNVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-18-7-4-9(11(16)17)15(6-7)10-8(5-12)13-2-3-14-10/h2-3,7,9H,4,6H2,1H3,(H,16,17).
What are the key properties of 1-(3-cyanopyrazin-2-yl)-4-methoxypyrrolidine-2-carboxylic acid?
1-(3-cyanopyrazin-2-yl)-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanopyrazin-2-yl)-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 62672850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).