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

C15H20N4O3 — CID 72926052

IUPAC1-methyl-2-oxo-8-(pyrimidin-2-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(Cc1ncccn1)CC2
InChIInChI=1S/C15H20N4O3/c1-18-13(20)9-11(14(21)22)15(18)3-7-19(8-4-15)10-12-16-5-2-6-17-12/h2,5-6,11H,3-4,7-10H2,1H3,(H,21,22)
InChIKeyNFFZORBRQOHQMB-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.37
Rot. Bonds3

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

1-methyl-2-oxo-8-(pyrimidin-2-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72926052) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-methyl-2-oxo-8-(pyrimidin-2-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-oxo-8-(pyrimidin-2-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72926052
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name1-methyl-2-oxo-8-(pyrimidin-2-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(Cc1ncccn1)CC2
InChIInChI=1S/C15H20N4O3/c1-18-13(20)9-11(14(21)22)15(18)3-7-19(8-4-15)10-12-16-5-2-6-17-12/h2,5-6,11H,3-4,7-10H2,1H3,(H,21,22)
InChIKeyNFFZORBRQOHQMB-UHFFFAOYSA-N
XLogP0.37
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-8-(pyrimidin-2-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 1-methyl-2-oxo-8-(pyrimidin-2-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72926052) is 1-methyl-2-oxo-8-(pyrimidin-2-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 1-methyl-2-oxo-8-(pyrimidin-2-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 1-methyl-2-oxo-8-(pyrimidin-2-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CN1C(=O)CC(C(=O)O)C12CCN(Cc1ncccn1)CC2.
What is the InChIKey of 1-methyl-2-oxo-8-(pyrimidin-2-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is NFFZORBRQOHQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-18-13(20)9-11(14(21)22)15(18)3-7-19(8-4-15)10-12-16-5-2-6-17-12/h2,5-6,11H,3-4,7-10H2,1H3,(H,21,22).
What are the key properties of 1-methyl-2-oxo-8-(pyrimidin-2-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
1-methyl-2-oxo-8-(pyrimidin-2-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-8-(pyrimidin-2-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72926052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).