8-(2,5-dimethylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C15H20N4O3 — CID 72875385

IUPAC8-(2,5-dimethylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1ncc(C)c(N2CCC3(CC2)NC(=O)CC3C(=O)O)n1
InChIInChI=1S/C15H20N4O3/c1-9-8-16-10(2)17-13(9)19-5-3-15(4-6-19)11(14(21)22)7-12(20)18-15/h8,11H,3-7H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyHIJSBSSNWMYZDQ-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.65
Rot. Bonds2

About 8-(2,5-dimethylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-(2,5-dimethylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72875385) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 8-(2,5-dimethylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-(2,5-dimethylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72875385
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name8-(2,5-dimethylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1ncc(C)c(N2CCC3(CC2)NC(=O)CC3C(=O)O)n1
InChIInChI=1S/C15H20N4O3/c1-9-8-16-10(2)17-13(9)19-5-3-15(4-6-19)11(14(21)22)7-12(20)18-15/h8,11H,3-7H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyHIJSBSSNWMYZDQ-UHFFFAOYSA-N
XLogP0.65
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-(2,5-dimethylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(3S*,4S*)-4-cyclopropyl-1-{[2-(ethylamino)-5-pyrimidinyl]methyl}-3-pyrrolidinecarboxylic acid
CID 72931863
8-[(2-Cyclopropyl-4-methyl-5-pyrimidinyl)carbonyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72866758
1-Methyl-2-oxo-8-(2-pyrimidinylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72926052
(4S)-8-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97204992
8-(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72876461
(4S)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97195439
(4R)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97195440
1-Pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-6-carboxylic acid
CID 123615540
8-[6-(Isopropylamino)pyrimidin-4-YL]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72839967
8-[(2-Cyclopropyl-5-pyrimidinyl)carbonyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72841349
2-Oxo-8-{[2-(1-pyrrolidinyl)-5-pyrimidinyl]methyl}-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72842961
1-Methyl-2-oxo-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72848122

Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-(2,5-dimethylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72875385) is 8-(2,5-dimethylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-(2,5-dimethylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-(2,5-dimethylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cc1ncc(C)c(N2CCC3(CC2)NC(=O)CC3C(=O)O)n1.
What is the InChIKey of 8-(2,5-dimethylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is HIJSBSSNWMYZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-9-8-16-10(2)17-13(9)19-5-3-15(4-6-19)11(14(21)22)7-12(20)18-15/h8,11H,3-7H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 8-(2,5-dimethylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-(2,5-dimethylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dimethylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72875385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).