4-(2-methoxyethyl)-3-oxopyrazine-2-carboxylic acid

C8H10N2O4 — CID 154074662

IUPAC4-(2-methoxyethyl)-3-oxopyrazine-2-carboxylic acid
SMILESCOCCn1ccnc(C(=O)O)c1=O
InChIInChI=1S/C8H10N2O4/c1-14-5-4-10-3-2-9-6(7(10)11)8(12)13/h2-3H,4-5H2,1H3,(H,12,13)
InChIKeyCEWPMCJNVWTZBB-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.41
Rot. Bonds4

About 4-(2-methoxyethyl)-3-oxopyrazine-2-carboxylic acid

4-(2-methoxyethyl)-3-oxopyrazine-2-carboxylic acid (PubChem CID 154074662) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-3-oxopyrazine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxyethyl)-3-oxopyrazine-2-carboxylic acid
PubChem CID154074662
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name4-(2-methoxyethyl)-3-oxopyrazine-2-carboxylic acid
SMILESCOCCn1ccnc(C(=O)O)c1=O
InChIInChI=1S/C8H10N2O4/c1-14-5-4-10-3-2-9-6(7(10)11)8(12)13/h2-3H,4-5H2,1H3,(H,12,13)
InChIKeyCEWPMCJNVWTZBB-UHFFFAOYSA-N
XLogP-0.41
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]propanoic acid
CID 131905578
ethane;2-ethyl-1-(2-methoxyethyl)imidazole
CID 164585283
ethyl 3-[1-(2-methoxyethyl)imidazol-2-yl]-3-oxopropanoate
CID 58066151
1-(2-methoxyethyl)-6-oxo-4-propylpyrimidine-5-carboxylic acid
CID 165477714
5,6-dichloro-3-(2-methoxyethyl)pyrimidin-4-one
CID 114583146
2-[1-(2-methoxyethyl)imidazol-2-yl]ethanamine
CID 62410004
6-chloro-1-(2-methoxyethyl)pyrrolo[3,2-b]pyridine-5-carboxylic acid
CID 158881760
4-hydroxy-1-(2-methoxyethyl)pyrazole-3-carboxylic acid
CID 165467792
1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 72919738
1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole
CID 168941227
1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)imidazol-2-amine
CID 106561717
1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-7-carboxylic acid
CID 172625364

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-3-oxopyrazine-2-carboxylic acid?
The IUPAC name of 4-(2-methoxyethyl)-3-oxopyrazine-2-carboxylic acid (CID 154074662) is 4-(2-methoxyethyl)-3-oxopyrazine-2-carboxylic acid.
What is the SMILES notation for 4-(2-methoxyethyl)-3-oxopyrazine-2-carboxylic acid?
The canonical SMILES for 4-(2-methoxyethyl)-3-oxopyrazine-2-carboxylic acid is COCCn1ccnc(C(=O)O)c1=O.
What is the InChIKey of 4-(2-methoxyethyl)-3-oxopyrazine-2-carboxylic acid?
The InChIKey is CEWPMCJNVWTZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-14-5-4-10-3-2-9-6(7(10)11)8(12)13/h2-3H,4-5H2,1H3,(H,12,13).
What are the key properties of 4-(2-methoxyethyl)-3-oxopyrazine-2-carboxylic acid?
4-(2-methoxyethyl)-3-oxopyrazine-2-carboxylic acid has a molecular weight of 198.18 g/mol, XLogP of -0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-3-oxopyrazine-2-carboxylic acid is sourced from PubChem (CID 154074662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).