3-(3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid

C10H13N3O2 — CID 62702520

IUPAC3-(3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
SMILESCC1CCN(c2nccnc2C(=O)O)C1
InChIInChI=1S/C10H13N3O2/c1-7-2-5-13(6-7)9-8(10(14)15)11-3-4-12-9/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyLVEKBQBXANYCLX-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.02
Rot. Bonds2

About 3-(3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid

3-(3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid (PubChem CID 62702520) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
PubChem CID62702520
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-(3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
SMILESCC1CCN(c2nccnc2C(=O)O)C1
InChIInChI=1S/C10H13N3O2/c1-7-2-5-13(6-7)9-8(10(14)15)11-3-4-12-9/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyLVEKBQBXANYCLX-UHFFFAOYSA-N
XLogP1.02
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid (CID 62702520) is 3-(3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid is CC1CCN(c2nccnc2C(=O)O)C1.
What is the InChIKey of 3-(3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid?
The InChIKey is LVEKBQBXANYCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7-2-5-13(6-7)9-8(10(14)15)11-3-4-12-9/h3-4,7H,2,5-6H2,1H3,(H,14,15).
What are the key properties of 3-(3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid?
3-(3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 62702520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).