[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate

C13H18N4O4 — CID 41182884

IUPAC[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
SMILESC[C@@H]1CN(C(=O)COC(=O)c2nccnc2N)C[C@@H](C)O1
InChIInChI=1S/C13H18N4O4/c1-8-5-17(6-9(2)21-8)10(18)7-20-13(19)11-12(14)16-4-3-15-11/h3-4,8-9H,5-7H2,1-2H3,(H2,14,16)/t8-,9-/m1/s1
InChIKeyBHRMMAKGNWXSOJ-RKDXNWHRSA-N
MW294.31 g/mol
LogP-0.15
Rot. Bonds3

About [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate

[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate (PubChem CID 41182884) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
PubChem CID41182884
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
SMILESC[C@@H]1CN(C(=O)COC(=O)c2nccnc2N)C[C@@H](C)O1
InChIInChI=1S/C13H18N4O4/c1-8-5-17(6-9(2)21-8)10(18)7-20-13(19)11-12(14)16-4-3-15-11/h3-4,8-9H,5-7H2,1-2H3,(H2,14,16)/t8-,9-/m1/s1
InChIKeyBHRMMAKGNWXSOJ-RKDXNWHRSA-N
XLogP-0.15
TPSA107.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 2685715
(2-oxo-2-piperidin-1-ylethyl) 3-aminopyrazine-2-carboxylate
CID 2687681
[2-(azepan-1-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 2625779
bis[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate
CID 42988833
(2,6-dimethyloxan-4-yl) 3-aminopyrazine-2-carboxylate
CID 113369215
4-O-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239698
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 7530775
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 43063520
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 2345805
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 2486658
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 16523608
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3545684

Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
The IUPAC name of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate (CID 41182884) is [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
The canonical SMILES for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate is C[C@@H]1CN(C(=O)COC(=O)c2nccnc2N)C[C@@H](C)O1.
What is the InChIKey of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
The InChIKey is BHRMMAKGNWXSOJ-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-8-5-17(6-9(2)21-8)10(18)7-20-13(19)11-12(14)16-4-3-15-11/h3-4,8-9H,5-7H2,1-2H3,(H2,14,16)/t8-,9-/m1/s1.
What are the key properties of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate has a molecular weight of 294.31 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 41182884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).