[2-(2-methoxyethylamino)-2-oxoethyl] pyrazine-2-carboxylate

C10H13N3O4 — CID 7702375

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] pyrazine-2-carboxylate
SMILESCOCCNC(=O)COC(=O)c1cnccn1
InChIInChI=1S/C10H13N3O4/c1-16-5-4-13-9(14)7-17-10(15)8-6-11-2-3-12-8/h2-3,6H,4-5,7H2,1H3,(H,13,14)
InChIKeyJMMRCDVCFHPVSD-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.60
Rot. Bonds6

About [2-(2-methoxyethylamino)-2-oxoethyl] pyrazine-2-carboxylate

[2-(2-methoxyethylamino)-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 7702375) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID7702375
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] pyrazine-2-carboxylate
SMILESCOCCNC(=O)COC(=O)c1cnccn1
InChIInChI=1S/C10H13N3O4/c1-16-5-4-13-9(14)7-17-10(15)8-6-11-2-3-12-8/h2-3,6H,4-5,7H2,1H3,(H,13,14)
InChIKeyJMMRCDVCFHPVSD-UHFFFAOYSA-N
XLogP-0.60
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196636
[2-(2-cyanoethylamino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7985513
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196711
N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide
CID 39231127
N-(2-methoxyethyl)-2-(pyrazin-2-ylamino)acetamide
CID 115574127
[2-(2-methoxyethylamino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605351
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196665
[2-(2-methoxyanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2355502
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196552
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] pyrazine-2-carboxylate
CID 2628622
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] pyrazine-2-carboxylate
CID 7702335
[2-[2-[[2-(5-methylpyrazine-2-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 16524473

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] pyrazine-2-carboxylate (CID 7702375) is [2-(2-methoxyethylamino)-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] pyrazine-2-carboxylate is COCCNC(=O)COC(=O)c1cnccn1.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is JMMRCDVCFHPVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-16-5-4-13-9(14)7-17-10(15)8-6-11-2-3-12-8/h2-3,6H,4-5,7H2,1H3,(H,13,14).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] pyrazine-2-carboxylate?
[2-(2-methoxyethylamino)-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 239.23 g/mol, XLogP of -0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 7702375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).