4-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclohexane-1-carboxylic acid

C15H23N3O3 — CID 122060214

IUPAC4-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)COc1cncc(NC2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C15H23N3O3/c1-10(2)9-21-14-8-16-7-13(18-14)17-12-5-3-11(4-6-12)15(19)20/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyJPWKUVOXWIIHIR-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.57
Rot. Bonds6

About 4-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclohexane-1-carboxylic acid

4-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122060214) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclohexane-1-carboxylic acid
PubChem CID122060214
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)COc1cncc(NC2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C15H23N3O3/c1-10(2)9-21-14-8-16-7-13(18-14)17-12-5-3-11(4-6-12)15(19)20/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyJPWKUVOXWIIHIR-UHFFFAOYSA-N
XLogP2.57
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclohexane-1-carboxylic acid (CID 122060214) is 4-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclohexane-1-carboxylic acid is CC(C)COc1cncc(NC2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 4-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is JPWKUVOXWIIHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)9-21-14-8-16-7-13(18-14)17-12-5-3-11(4-6-12)15(19)20/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclohexane-1-carboxylic acid?
4-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122060214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).