[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate

C12H16N4O4 — CID 9196665

IUPAC[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESCCNC(=O)[C@@H](C)NC(=O)COC(=O)c1cnccn1
InChIInChI=1S/C12H16N4O4/c1-3-14-11(18)8(2)16-10(17)7-20-12(19)9-6-13-4-5-15-9/h4-6,8H,3,7H2,1-2H3,(H,14,18)(H,16,17)/t8-/m1/s1
InChIKeyNQLJYTYSKYMLKY-MRVPVSSYSA-N
MW280.28 g/mol
LogP-0.73
Rot. Bonds6

About [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate

[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 9196665) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID9196665
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESCCNC(=O)[C@@H](C)NC(=O)COC(=O)c1cnccn1
InChIInChI=1S/C12H16N4O4/c1-3-14-11(18)8(2)16-10(17)7-20-12(19)9-6-13-4-5-15-9/h4-6,8H,3,7H2,1-2H3,(H,14,18)(H,16,17)/t8-/m1/s1
InChIKeyNQLJYTYSKYMLKY-MRVPVSSYSA-N
XLogP-0.73
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate with MolForge

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Related Compounds

[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] benzoate
CID 9018937
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196611
[2-(2-methoxyethylamino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7702375
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196711
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 9201468
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] pyrazine-2-carboxylate
CID 7985817
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196552
[2-(2-cyanoethylamino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7985513
N-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]propanamide
CID 47112875
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 3-fluorobenzoate
CID 9198588
[2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196633
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] pyrazine-2-carboxylate
CID 2628622

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate (CID 9196665) is [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate is CCNC(=O)[C@@H](C)NC(=O)COC(=O)c1cnccn1.
What is the InChIKey of [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is NQLJYTYSKYMLKY-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-3-14-11(18)8(2)16-10(17)7-20-12(19)9-6-13-4-5-15-9/h4-6,8H,3,7H2,1-2H3,(H,14,18)(H,16,17)/t8-/m1/s1.
What are the key properties of [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 280.28 g/mol, XLogP of -0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 9196665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).