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

C11H15N3O4 — CID 64889450

IUPAC3-[(6-ethoxypyrazin-2-yl)amino]oxolane-3-carboxylic acid
SMILESCCOc1cncc(NC2(C(=O)O)CCOC2)n1
InChIInChI=1S/C11H15N3O4/c1-2-18-9-6-12-5-8(13-9)14-11(10(15)16)3-4-17-7-11/h5-6H,2-4,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyOINHLDZPLGNRLM-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.53
Rot. Bonds5

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

3-[(6-ethoxypyrazin-2-yl)amino]oxolane-3-carboxylic acid (PubChem CID 64889450) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-[(6-ethoxypyrazin-2-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(6-ethoxypyrazin-2-yl)amino]oxolane-3-carboxylic acid
PubChem CID64889450
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name3-[(6-ethoxypyrazin-2-yl)amino]oxolane-3-carboxylic acid
SMILESCCOc1cncc(NC2(C(=O)O)CCOC2)n1
InChIInChI=1S/C11H15N3O4/c1-2-18-9-6-12-5-8(13-9)14-11(10(15)16)3-4-17-7-11/h5-6H,2-4,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyOINHLDZPLGNRLM-UHFFFAOYSA-N
XLogP0.53
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethoxypyrazin-2-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(6-ethoxypyrazin-2-yl)amino]oxolane-3-carboxylic acid (CID 64889450) is 3-[(6-ethoxypyrazin-2-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(6-ethoxypyrazin-2-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(6-ethoxypyrazin-2-yl)amino]oxolane-3-carboxylic acid is CCOc1cncc(NC2(C(=O)O)CCOC2)n1.
What is the InChIKey of 3-[(6-ethoxypyrazin-2-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is OINHLDZPLGNRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-18-9-6-12-5-8(13-9)14-11(10(15)16)3-4-17-7-11/h5-6H,2-4,7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(6-ethoxypyrazin-2-yl)amino]oxolane-3-carboxylic acid?
3-[(6-ethoxypyrazin-2-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxypyrazin-2-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64889450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).