(2S)-6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid

C15H21N3O2 — CID 164638010

IUPAC(2S)-6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCC(C)c1nccc(N2CCC3(CC2)C[C@@H]3C(=O)O)n1
InChIInChI=1S/C15H21N3O2/c1-10(2)13-16-6-3-12(17-13)18-7-4-15(5-8-18)9-11(15)14(19)20/h3,6,10-11H,4-5,7-9H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyRHMOEZQHTOGXGO-LLVKDONJSA-N
MW275.35 g/mol
LogP2.29
Rot. Bonds3

About (2S)-6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid

(2S)-6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 164638010) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2S)-6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID164638010
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2S)-6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCC(C)c1nccc(N2CCC3(CC2)C[C@@H]3C(=O)O)n1
InChIInChI=1S/C15H21N3O2/c1-10(2)13-16-6-3-12(17-13)18-7-4-15(5-8-18)9-11(15)14(19)20/h3,6,10-11H,4-5,7-9H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyRHMOEZQHTOGXGO-LLVKDONJSA-N
XLogP2.29
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of (2S)-6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 164638010) is (2S)-6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for (2S)-6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for (2S)-6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid is CC(C)c1nccc(N2CCC3(CC2)C[C@@H]3C(=O)O)n1.
What is the InChIKey of (2S)-6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is RHMOEZQHTOGXGO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(2)13-16-6-3-12(17-13)18-7-4-15(5-8-18)9-11(15)14(19)20/h3,6,10-11H,4-5,7-9H2,1-2H3,(H,19,20)/t11-/m1/s1.
What are the key properties of (2S)-6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid?
(2S)-6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 164638010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).