4-methoxy-1-pyrazin-2-ylpyrrolidine-2-carboxylic acid

C10H13N3O3 — CID 24711770

IUPAC4-methoxy-1-pyrazin-2-ylpyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(c2cnccn2)C1
InChIInChI=1S/C10H13N3O3/c1-16-7-4-8(10(14)15)13(6-7)9-5-11-2-3-12-9/h2-3,5,7-8H,4,6H2,1H3,(H,14,15)
InChIKeyCYJXBHKEJUDZCA-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.15
Rot. Bonds3

About 4-methoxy-1-pyrazin-2-ylpyrrolidine-2-carboxylic acid

4-methoxy-1-pyrazin-2-ylpyrrolidine-2-carboxylic acid (PubChem CID 24711770) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-methoxy-1-pyrazin-2-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-pyrazin-2-ylpyrrolidine-2-carboxylic acid
PubChem CID24711770
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name4-methoxy-1-pyrazin-2-ylpyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(c2cnccn2)C1
InChIInChI=1S/C10H13N3O3/c1-16-7-4-8(10(14)15)13(6-7)9-5-11-2-3-12-9/h2-3,5,7-8H,4,6H2,1H3,(H,14,15)
InChIKeyCYJXBHKEJUDZCA-UHFFFAOYSA-N
XLogP0.15
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-pyrazin-2-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-pyrazin-2-ylpyrrolidine-2-carboxylic acid (CID 24711770) is 4-methoxy-1-pyrazin-2-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-pyrazin-2-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-pyrazin-2-ylpyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(c2cnccn2)C1.
What is the InChIKey of 4-methoxy-1-pyrazin-2-ylpyrrolidine-2-carboxylic acid?
The InChIKey is CYJXBHKEJUDZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-16-7-4-8(10(14)15)13(6-7)9-5-11-2-3-12-9/h2-3,5,7-8H,4,6H2,1H3,(H,14,15).
What are the key properties of 4-methoxy-1-pyrazin-2-ylpyrrolidine-2-carboxylic acid?
4-methoxy-1-pyrazin-2-ylpyrrolidine-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-pyrazin-2-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 24711770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).