3-(2-methylpentanoylamino)pyrazine-2-carboxylic acid

C11H15N3O3 — CID 55169183

IUPAC3-(2-methylpentanoylamino)pyrazine-2-carboxylic acid
SMILESCCCC(C)C(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C11H15N3O3/c1-3-4-7(2)10(15)14-9-8(11(16)17)12-5-6-13-9/h5-7H,3-4H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyXLBITZKCOHIGOQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.55
Rot. Bonds5

About 3-(2-methylpentanoylamino)pyrazine-2-carboxylic acid

3-(2-methylpentanoylamino)pyrazine-2-carboxylic acid (PubChem CID 55169183) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(2-methylpentanoylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylpentanoylamino)pyrazine-2-carboxylic acid
PubChem CID55169183
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-(2-methylpentanoylamino)pyrazine-2-carboxylic acid
SMILESCCCC(C)C(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C11H15N3O3/c1-3-4-7(2)10(15)14-9-8(11(16)17)12-5-6-13-9/h5-7H,3-4H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyXLBITZKCOHIGOQ-UHFFFAOYSA-N
XLogP1.55
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentanoylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(2-methylpentanoylamino)pyrazine-2-carboxylic acid (CID 55169183) is 3-(2-methylpentanoylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(2-methylpentanoylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(2-methylpentanoylamino)pyrazine-2-carboxylic acid is CCCC(C)C(=O)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-(2-methylpentanoylamino)pyrazine-2-carboxylic acid?
The InChIKey is XLBITZKCOHIGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-4-7(2)10(15)14-9-8(11(16)17)12-5-6-13-9/h5-7H,3-4H2,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of 3-(2-methylpentanoylamino)pyrazine-2-carboxylic acid?
3-(2-methylpentanoylamino)pyrazine-2-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentanoylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 55169183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).