5-(8-methyl-2,8-diazaspiro[3.5]nonan-2-yl)pyrazine-2-carboxylic acid

C13H18N4O2 — CID 168758684

IUPAC5-(8-methyl-2,8-diazaspiro[3.5]nonan-2-yl)pyrazine-2-carboxylic acid
SMILESCN1CCCC2(C1)CN(c1cnc(C(=O)O)cn1)C2
InChIInChI=1S/C13H18N4O2/c1-16-4-2-3-13(7-16)8-17(9-13)11-6-14-10(5-15-11)12(18)19/h5-6H,2-4,7-9H2,1H3,(H,18,19)
InChIKeyNEMLLXPBYBKHRT-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.71
Rot. Bonds2

About 5-(8-methyl-2,8-diazaspiro[3.5]nonan-2-yl)pyrazine-2-carboxylic acid

5-(8-methyl-2,8-diazaspiro[3.5]nonan-2-yl)pyrazine-2-carboxylic acid (PubChem CID 168758684) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-(8-methyl-2,8-diazaspiro[3.5]nonan-2-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(8-methyl-2,8-diazaspiro[3.5]nonan-2-yl)pyrazine-2-carboxylic acid
PubChem CID168758684
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5-(8-methyl-2,8-diazaspiro[3.5]nonan-2-yl)pyrazine-2-carboxylic acid
SMILESCN1CCCC2(C1)CN(c1cnc(C(=O)O)cn1)C2
InChIInChI=1S/C13H18N4O2/c1-16-4-2-3-13(7-16)8-17(9-13)11-6-14-10(5-15-11)12(18)19/h5-6H,2-4,7-9H2,1H3,(H,18,19)
InChIKeyNEMLLXPBYBKHRT-UHFFFAOYSA-N
XLogP0.71
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(8-methyl-2,8-diazaspiro[3.5]nonan-2-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(8-methyl-2,8-diazaspiro[3.5]nonan-2-yl)pyrazine-2-carboxylic acid (CID 168758684) is 5-(8-methyl-2,8-diazaspiro[3.5]nonan-2-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(8-methyl-2,8-diazaspiro[3.5]nonan-2-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(8-methyl-2,8-diazaspiro[3.5]nonan-2-yl)pyrazine-2-carboxylic acid is CN1CCCC2(C1)CN(c1cnc(C(=O)O)cn1)C2.
What is the InChIKey of 5-(8-methyl-2,8-diazaspiro[3.5]nonan-2-yl)pyrazine-2-carboxylic acid?
The InChIKey is NEMLLXPBYBKHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-16-4-2-3-13(7-16)8-17(9-13)11-6-14-10(5-15-11)12(18)19/h5-6H,2-4,7-9H2,1H3,(H,18,19).
What are the key properties of 5-(8-methyl-2,8-diazaspiro[3.5]nonan-2-yl)pyrazine-2-carboxylic acid?
5-(8-methyl-2,8-diazaspiro[3.5]nonan-2-yl)pyrazine-2-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-methyl-2,8-diazaspiro[3.5]nonan-2-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 168758684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).