6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylic acid

C7H12N2O3 — CID 22328659

IUPAC6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylic acid
SMILESCCOC1=NCCN(C(=O)O)C1
InChIInChI=1S/C7H12N2O3/c1-2-12-6-5-9(7(10)11)4-3-8-6/h2-5H2,1H3,(H,10,11)
InChIKeyRMBXMSATIITNOW-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.41
Rot. Bonds1

About 6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylic acid

6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylic acid (PubChem CID 22328659) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylic acid.

Molecular Properties

Compound Name6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylic acid
PubChem CID22328659
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylic acid
SMILESCCOC1=NCCN(C(=O)O)C1
InChIInChI=1S/C7H12N2O3/c1-2-12-6-5-9(7(10)11)4-3-8-6/h2-5H2,1H3,(H,10,11)
InChIKeyRMBXMSATIITNOW-UHFFFAOYSA-N
XLogP0.41
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-fluorophenyl)-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)methanone
CID 66599458
7-(hydroxyamino)-2,3,5,6-tetrahydro-1,4-diazepine-4-carboxylic acid
CID 87353732
4-propoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
CID 138635985
4-ethoxy-5-methyl-1,3-dihydroisoindole-2-carboxylic acid
CID 144970977
5-ethoxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid
CID 77178162
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 4585995
4-ethyl-N-hydroperoxy-3,5-dihydro-2H-pyrazin-6-amine
CID 89020672
tert-butyl (5S)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 67451786
tert-butyl 6-[(3-ethoxy-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398095
4-[4-(4-ethoxyphenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid
CID 67084559
7-(methoxymethyl)-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylic acid
CID 146273702

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylic acid?
The IUPAC name of 6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylic acid (CID 22328659) is 6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylic acid.
What is the SMILES notation for 6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylic acid?
The canonical SMILES for 6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylic acid is CCOC1=NCCN(C(=O)O)C1.
What is the InChIKey of 6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylic acid?
The InChIKey is RMBXMSATIITNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-2-12-6-5-9(7(10)11)4-3-8-6/h2-5H2,1H3,(H,10,11).
What are the key properties of 6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylic acid?
6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylic acid has a molecular weight of 172.18 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3,5-dihydro-2H-pyrazine-4-carboxylic acid is sourced from PubChem (CID 22328659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).