[2-oxo-2-(propan-2-ylamino)ethyl] 5-methylpyrazine-2-carboxylate

C11H15N3O3 — CID 2433875

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)NC(C)C)cn1
InChIInChI=1S/C11H15N3O3/c1-7(2)14-10(15)6-17-11(16)9-5-12-8(3)4-13-9/h4-5,7H,6H2,1-3H3,(H,14,15)
InChIKeyUBXJMICXPGFUBM-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.47
Rot. Bonds4

About [2-oxo-2-(propan-2-ylamino)ethyl] 5-methylpyrazine-2-carboxylate

[2-oxo-2-(propan-2-ylamino)ethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 2433875) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 5-methylpyrazine-2-carboxylate
PubChem CID2433875
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)NC(C)C)cn1
InChIInChI=1S/C11H15N3O3/c1-7(2)14-10(15)6-17-11(16)9-5-12-8(3)4-13-9/h4-5,7H,6H2,1-3H3,(H,14,15)
InChIKeyUBXJMICXPGFUBM-UHFFFAOYSA-N
XLogP0.47
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 5-methylpyrazine-2-carboxylate (CID 2433875) is [2-oxo-2-(propan-2-ylamino)ethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCC(=O)NC(C)C)cn1.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is UBXJMICXPGFUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(2)14-10(15)6-17-11(16)9-5-12-8(3)4-13-9/h4-5,7H,6H2,1-3H3,(H,14,15).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 5-methylpyrazine-2-carboxylate?
[2-oxo-2-(propan-2-ylamino)ethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 237.26 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2433875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).