3-(5-methylpyrazin-2-yl)oxetane-3-carboxylic acid

C9H10N2O3 — CID 82401450

IUPAC3-(5-methylpyrazin-2-yl)oxetane-3-carboxylic acid
SMILESCc1cnc(C2(C(=O)O)COC2)cn1
InChIInChI=1S/C9H10N2O3/c1-6-2-11-7(3-10-6)9(8(12)13)4-14-5-9/h2-3H,4-5H2,1H3,(H,12,13)
InChIKeyUAZIZMWIHIDZJV-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.14
Rot. Bonds2

About 3-(5-methylpyrazin-2-yl)oxetane-3-carboxylic acid

3-(5-methylpyrazin-2-yl)oxetane-3-carboxylic acid (PubChem CID 82401450) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-(5-methylpyrazin-2-yl)oxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-(5-methylpyrazin-2-yl)oxetane-3-carboxylic acid
PubChem CID82401450
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name3-(5-methylpyrazin-2-yl)oxetane-3-carboxylic acid
SMILESCc1cnc(C2(C(=O)O)COC2)cn1
InChIInChI=1S/C9H10N2O3/c1-6-2-11-7(3-10-6)9(8(12)13)4-14-5-9/h2-3H,4-5H2,1H3,(H,12,13)
InChIKeyUAZIZMWIHIDZJV-UHFFFAOYSA-N
XLogP0.14
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrazin-2-yl)oxetane-3-carboxylic acid?
The IUPAC name of 3-(5-methylpyrazin-2-yl)oxetane-3-carboxylic acid (CID 82401450) is 3-(5-methylpyrazin-2-yl)oxetane-3-carboxylic acid.
What is the SMILES notation for 3-(5-methylpyrazin-2-yl)oxetane-3-carboxylic acid?
The canonical SMILES for 3-(5-methylpyrazin-2-yl)oxetane-3-carboxylic acid is Cc1cnc(C2(C(=O)O)COC2)cn1.
What is the InChIKey of 3-(5-methylpyrazin-2-yl)oxetane-3-carboxylic acid?
The InChIKey is UAZIZMWIHIDZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-6-2-11-7(3-10-6)9(8(12)13)4-14-5-9/h2-3H,4-5H2,1H3,(H,12,13).
What are the key properties of 3-(5-methylpyrazin-2-yl)oxetane-3-carboxylic acid?
3-(5-methylpyrazin-2-yl)oxetane-3-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrazin-2-yl)oxetane-3-carboxylic acid is sourced from PubChem (CID 82401450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).