1-methyl-8-(2-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C15H20N4O3 — CID 72864131

IUPAC1-methyl-8-(2-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1nccc(N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)n1
InChIInChI=1S/C15H20N4O3/c1-10-16-6-3-12(17-10)19-7-4-15(5-8-19)11(14(21)22)9-13(20)18(15)2/h3,6,11H,4-5,7-9H2,1-2H3,(H,21,22)
InChIKeyJXXPLRVZZWGWQA-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.69
Rot. Bonds2

About 1-methyl-8-(2-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

1-methyl-8-(2-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72864131) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-methyl-8-(2-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-8-(2-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72864131
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name1-methyl-8-(2-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1nccc(N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)n1
InChIInChI=1S/C15H20N4O3/c1-10-16-6-3-12(17-10)19-7-4-15(5-8-19)11(14(21)22)9-13(20)18(15)2/h3,6,11H,4-5,7-9H2,1-2H3,(H,21,22)
InChIKeyJXXPLRVZZWGWQA-UHFFFAOYSA-N
XLogP0.69
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(2-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 1-methyl-8-(2-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72864131) is 1-methyl-8-(2-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 1-methyl-8-(2-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 1-methyl-8-(2-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cc1nccc(N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)n1.
What is the InChIKey of 1-methyl-8-(2-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is JXXPLRVZZWGWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-10-16-6-3-12(17-10)19-7-4-15(5-8-19)11(14(21)22)9-13(20)18(15)2/h3,6,11H,4-5,7-9H2,1-2H3,(H,21,22).
What are the key properties of 1-methyl-8-(2-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
1-methyl-8-(2-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(2-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72864131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).