3-[(3,6-dimethylpyrazin-2-yl)amino]oxolane-3-carboxylic acid

C11H15N3O3 — CID 65416662

IUPAC3-[(3,6-dimethylpyrazin-2-yl)amino]oxolane-3-carboxylic acid
SMILESCc1cnc(C)c(NC2(C(=O)O)CCOC2)n1
InChIInChI=1S/C11H15N3O3/c1-7-5-12-8(2)9(13-7)14-11(10(15)16)3-4-17-6-11/h5H,3-4,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyFLEFPMXRJUDKTD-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.75
Rot. Bonds3

About 3-[(3,6-dimethylpyrazin-2-yl)amino]oxolane-3-carboxylic acid

3-[(3,6-dimethylpyrazin-2-yl)amino]oxolane-3-carboxylic acid (PubChem CID 65416662) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[(3,6-dimethylpyrazin-2-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(3,6-dimethylpyrazin-2-yl)amino]oxolane-3-carboxylic acid
PubChem CID65416662
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-[(3,6-dimethylpyrazin-2-yl)amino]oxolane-3-carboxylic acid
SMILESCc1cnc(C)c(NC2(C(=O)O)CCOC2)n1
InChIInChI=1S/C11H15N3O3/c1-7-5-12-8(2)9(13-7)14-11(10(15)16)3-4-17-6-11/h5H,3-4,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyFLEFPMXRJUDKTD-UHFFFAOYSA-N
XLogP0.75
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,6-dimethylpyrazin-2-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(3,6-dimethylpyrazin-2-yl)amino]oxolane-3-carboxylic acid (CID 65416662) is 3-[(3,6-dimethylpyrazin-2-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(3,6-dimethylpyrazin-2-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(3,6-dimethylpyrazin-2-yl)amino]oxolane-3-carboxylic acid is Cc1cnc(C)c(NC2(C(=O)O)CCOC2)n1.
What is the InChIKey of 3-[(3,6-dimethylpyrazin-2-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is FLEFPMXRJUDKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-5-12-8(2)9(13-7)14-11(10(15)16)3-4-17-6-11/h5H,3-4,6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(3,6-dimethylpyrazin-2-yl)amino]oxolane-3-carboxylic acid?
3-[(3,6-dimethylpyrazin-2-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,6-dimethylpyrazin-2-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 65416662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).