5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylic acid

C10H13N3O3 — CID 67321926

IUPAC5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylic acid
SMILESCOC1CCN(c2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C10H13N3O3/c1-16-7-2-3-13(6-7)9-5-11-8(4-12-9)10(14)15/h4-5,7H,2-3,6H2,1H3,(H,14,15)
InChIKeyDQIWAWQVDOFFKT-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.40
Rot. Bonds3

About 5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylic acid

5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylic acid (PubChem CID 67321926) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylic acid
PubChem CID67321926
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylic acid
SMILESCOC1CCN(c2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C10H13N3O3/c1-16-7-2-3-13(6-7)9-5-11-8(4-12-9)10(14)15/h4-5,7H,2-3,6H2,1H3,(H,14,15)
InChIKeyDQIWAWQVDOFFKT-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylic acid (CID 67321926) is 5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylic acid is COC1CCN(c2cnc(C(=O)O)cn2)C1.
What is the InChIKey of 5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylic acid?
The InChIKey is DQIWAWQVDOFFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-16-7-2-3-13(6-7)9-5-11-8(4-12-9)10(14)15/h4-5,7H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylic acid?
5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypyrrolidin-1-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 67321926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).