5-(2-methoxy-2-methylpropyl)pyrazine-2-carboxylic acid

C10H14N2O3 — CID 123620674

IUPAC5-(2-methoxy-2-methylpropyl)pyrazine-2-carboxylic acid
SMILESCOC(C)(C)Cc1cnc(C(=O)O)cn1
InChIInChI=1S/C10H14N2O3/c1-10(2,15-3)4-7-5-12-8(6-11-7)9(13)14/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyDQQPECZFBNATII-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.14
Rot. Bonds4

About 5-(2-methoxy-2-methylpropyl)pyrazine-2-carboxylic acid

5-(2-methoxy-2-methylpropyl)pyrazine-2-carboxylic acid (PubChem CID 123620674) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-(2-methoxy-2-methylpropyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxy-2-methylpropyl)pyrazine-2-carboxylic acid
PubChem CID123620674
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-(2-methoxy-2-methylpropyl)pyrazine-2-carboxylic acid
SMILESCOC(C)(C)Cc1cnc(C(=O)O)cn1
InChIInChI=1S/C10H14N2O3/c1-10(2,15-3)4-7-5-12-8(6-11-7)9(13)14/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyDQQPECZFBNATII-UHFFFAOYSA-N
XLogP1.14
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid
CID 104765944
5-(methylsulfanylmethyl)pyrazine-2-carboxylic acid
CID 117213283
5-(ethylaminomethyl)pyrazine-2-carboxylic acid
CID 105439294
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid
CID 107372485
5-(propan-2-ylsulfanylmethyl)pyrazine-2-carboxylic acid
CID 117213287
5-methoxypyrazine-2-carboxylic acid;hydrochloride
CID 121268158
5-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazine-2-carboxylic acid;hydrobromide
CID 173253748
5-(2-methoxy-2-oxoethyl)sulfanylpyrazine-2-carboxylic acid
CID 107372609
5-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111159
[1-[5-(2-bromoethyl)pyrazin-2-yl]-2-methylpropan-2-yl] carbamate
CID 174478259
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrazine-2-carboxylic acid
CID 104567375
5-[4-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111151

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-2-methylpropyl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(2-methoxy-2-methylpropyl)pyrazine-2-carboxylic acid (CID 123620674) is 5-(2-methoxy-2-methylpropyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(2-methoxy-2-methylpropyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(2-methoxy-2-methylpropyl)pyrazine-2-carboxylic acid is COC(C)(C)Cc1cnc(C(=O)O)cn1.
What is the InChIKey of 5-(2-methoxy-2-methylpropyl)pyrazine-2-carboxylic acid?
The InChIKey is DQQPECZFBNATII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(2,15-3)4-7-5-12-8(6-11-7)9(13)14/h5-6H,4H2,1-3H3,(H,13,14).
What are the key properties of 5-(2-methoxy-2-methylpropyl)pyrazine-2-carboxylic acid?
5-(2-methoxy-2-methylpropyl)pyrazine-2-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-2-methylpropyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 123620674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).