[2-(methylcarbamoylamino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate

C9H11N5O4 — CID 2642796

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
SMILESCNC(=O)NC(=O)COC(=O)c1nccnc1N
InChIInChI=1S/C9H11N5O4/c1-11-9(17)14-5(15)4-18-8(16)6-7(10)13-3-2-12-6/h2-3H,4H2,1H3,(H2,10,13)(H2,11,14,15,17)
InChIKeyMQCZPPXQPUOUSS-UHFFFAOYSA-N
MW253.22 g/mol
LogP-1.33
Rot. Bonds3

About [2-(methylcarbamoylamino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate

[2-(methylcarbamoylamino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate (PubChem CID 2642796) has the molecular formula C9H11N5O4 and a molecular weight of 253.22 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
PubChem CID2642796
Molecular FormulaC9H11N5O4
Molecular Weight253.22 g/mol
Exact Mass253.08
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
SMILESCNC(=O)NC(=O)COC(=O)c1nccnc1N
InChIInChI=1S/C9H11N5O4/c1-11-9(17)14-5(15)4-18-8(16)6-7(10)13-3-2-12-6/h2-3H,4H2,1H3,(H2,10,13)(H2,11,14,15,17)
InChIKeyMQCZPPXQPUOUSS-UHFFFAOYSA-N
XLogP-1.33
TPSA136.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 2624946
[2-(3,5-difluoroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 41188121
[2-(methylcarbamoylamino)-2-oxoethyl] 1H-pyrazole-5-carboxylate
CID 46428902
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 7469302
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 7469231
[2-(methylcarbamoylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 30344335
[2-(methylcarbamoylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2628770
[2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561800
[2-(methylcarbamoylamino)-2-oxoethyl] 4-bromobenzoate
CID 2625657
[2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627763
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 2643782
[2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 7469230

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate (CID 2642796) is [2-(methylcarbamoylamino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate is CNC(=O)NC(=O)COC(=O)c1nccnc1N.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
The InChIKey is MQCZPPXQPUOUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O4/c1-11-9(17)14-5(15)4-18-8(16)6-7(10)13-3-2-12-6/h2-3H,4H2,1H3,(H2,10,13)(H2,11,14,15,17).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
[2-(methylcarbamoylamino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate has a molecular weight of 253.22 g/mol, XLogP of -1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 2642796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).