3-(2,5-dimethylmorpholin-4-yl)pyrazine-2-carboxylic acid

C11H15N3O3 — CID 55107513

IUPAC3-(2,5-dimethylmorpholin-4-yl)pyrazine-2-carboxylic acid
SMILESCC1CN(c2nccnc2C(=O)O)C(C)CO1
InChIInChI=1S/C11H15N3O3/c1-7-6-17-8(2)5-14(7)10-9(11(15)16)12-3-4-13-10/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeyVGSUHPKSSSCPBQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.79
Rot. Bonds2

About 3-(2,5-dimethylmorpholin-4-yl)pyrazine-2-carboxylic acid

3-(2,5-dimethylmorpholin-4-yl)pyrazine-2-carboxylic acid (PubChem CID 55107513) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(2,5-dimethylmorpholin-4-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-dimethylmorpholin-4-yl)pyrazine-2-carboxylic acid
PubChem CID55107513
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-(2,5-dimethylmorpholin-4-yl)pyrazine-2-carboxylic acid
SMILESCC1CN(c2nccnc2C(=O)O)C(C)CO1
InChIInChI=1S/C11H15N3O3/c1-7-6-17-8(2)5-14(7)10-9(11(15)16)12-3-4-13-10/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeyVGSUHPKSSSCPBQ-UHFFFAOYSA-N
XLogP0.79
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylmorpholin-4-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(2,5-dimethylmorpholin-4-yl)pyrazine-2-carboxylic acid (CID 55107513) is 3-(2,5-dimethylmorpholin-4-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(2,5-dimethylmorpholin-4-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(2,5-dimethylmorpholin-4-yl)pyrazine-2-carboxylic acid is CC1CN(c2nccnc2C(=O)O)C(C)CO1.
What is the InChIKey of 3-(2,5-dimethylmorpholin-4-yl)pyrazine-2-carboxylic acid?
The InChIKey is VGSUHPKSSSCPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-6-17-8(2)5-14(7)10-9(11(15)16)12-3-4-13-10/h3-4,7-8H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 3-(2,5-dimethylmorpholin-4-yl)pyrazine-2-carboxylic acid?
3-(2,5-dimethylmorpholin-4-yl)pyrazine-2-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylmorpholin-4-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 55107513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).