[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate

C15H16N4O3 — CID 41074424

IUPAC[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate
SMILESCN(C)C(=O)[C@@H](OC(=O)c1nccnc1N)c1ccccc1
InChIInChI=1S/C15H16N4O3/c1-19(2)14(20)12(10-6-4-3-5-7-10)22-15(21)11-13(16)18-9-8-17-11/h3-9,12H,1-2H3,(H2,16,18)/t12-/m0/s1
InChIKeyORHMUXOZOCDRFR-LBPRGKRZSA-N
MW300.32 g/mol
LogP1.05
Rot. Bonds4

About [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate

[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate (PubChem CID 41074424) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate
PubChem CID41074424
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate
SMILESCN(C)C(=O)[C@@H](OC(=O)c1nccnc1N)c1ccccc1
InChIInChI=1S/C15H16N4O3/c1-19(2)14(20)12(10-6-4-3-5-7-10)22-15(21)11-13(16)18-9-8-17-11/h3-9,12H,1-2H3,(H2,16,18)/t12-/m0/s1
InChIKeyORHMUXOZOCDRFR-LBPRGKRZSA-N
XLogP1.05
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
CID 7696216
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
CID 27765842
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate
CID 46675416
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] quinoxaline-2-carboxylate
CID 27737574
[2-(dimethylamino)-2-oxo-1-phenylethyl] 4-bromobenzoate
CID 18198752
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-methylsulfanylbenzoate
CID 18199169
[2-(dimethylamino)-2-oxo-1-phenylethyl] 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 55560726
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 5-methylthiophene-2-carboxylate
CID 9415083
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1,3,5-trimethylpyrazole-4-carboxylate
CID 94785035
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1,3,5-trimethylpyrazole-4-carboxylate
CID 94785033
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 55392029
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate
CID 55390142

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate?
The IUPAC name of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate (CID 41074424) is [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate?
The canonical SMILES for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate is CN(C)C(=O)[C@@H](OC(=O)c1nccnc1N)c1ccccc1.
What is the InChIKey of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate?
The InChIKey is ORHMUXOZOCDRFR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-19(2)14(20)12(10-6-4-3-5-7-10)22-15(21)11-13(16)18-9-8-17-11/h3-9,12H,1-2H3,(H2,16,18)/t12-/m0/s1.
What are the key properties of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate?
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate has a molecular weight of 300.32 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 41074424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).