2-acetyl-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C15H19FN4O3 — CID 56914310

IUPAC2-acetyl-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCC(=O)N1CC2(CCN(c3ncc(F)cn3)CC2)CC1C(=O)O
InChIInChI=1S/C15H19FN4O3/c1-10(21)20-9-15(6-12(20)13(22)23)2-4-19(5-3-15)14-17-7-11(16)8-18-14/h7-8,12H,2-6,9H2,1H3,(H,22,23)
InChIKeyPDPVEYUOKZOEFX-UHFFFAOYSA-N
MW322.34 g/mol
LogP0.91
Rot. Bonds2

About 2-acetyl-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

2-acetyl-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56914310) has the molecular formula C15H19FN4O3 and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-acetyl-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name2-acetyl-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56914310
Molecular FormulaC15H19FN4O3
Molecular Weight322.34 g/mol
Exact Mass322.14
IUPAC Name2-acetyl-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCC(=O)N1CC2(CCN(c3ncc(F)cn3)CC2)CC1C(=O)O
InChIInChI=1S/C15H19FN4O3/c1-10(21)20-9-15(6-12(20)13(22)23)2-4-19(5-3-15)14-17-7-11(16)8-18-14/h7-8,12H,2-6,9H2,1H3,(H,22,23)
InChIKeyPDPVEYUOKZOEFX-UHFFFAOYSA-N
XLogP0.91
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(5-Fluoro-2-pyrimidinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56890794
2-Acetyl-8-[(2-amino-5-pyrimidinyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72898465
8-(4-Amino-2-pyrimidinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56887185
2-Acetyl-8-(2-pyrimidinylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72890690
(3S)-2-acetyl-8-(2-methyl-5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95723544
(3S)-8-(5-propan-2-ylpyrimidin-4-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95725537
(2R)-3-cyclobutyl-2-[3-[[4-[ethyl-(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid
CID 148501318
2-[1-(5-Fluoropyrimidin-2-yl)pyrrolidin-3-yl]-2-methylbutanoic acid
CID 176183904
8-(5-Fluoro-2-pyrimidinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56887373
2-(Cyclopropylcarbonyl)-8-(5-fluoro-2-pyrimidinyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56918220
1-(5-Fluoropyrimidin-2-yl)piperidine-2-carboxylic acid
CID 60137811
2-[9-(5-Fluoro-2-pyrimidinyl)-3-oxo-2,9-diazaspiro[5.5]undec-2-yl]propanoic acid
CID 72837978

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 2-acetyl-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56914310) is 2-acetyl-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 2-acetyl-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 2-acetyl-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CC(=O)N1CC2(CCN(c3ncc(F)cn3)CC2)CC1C(=O)O.
What is the InChIKey of 2-acetyl-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is PDPVEYUOKZOEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O3/c1-10(21)20-9-15(6-12(20)13(22)23)2-4-19(5-3-15)14-17-7-11(16)8-18-14/h7-8,12H,2-6,9H2,1H3,(H,22,23).
What are the key properties of 2-acetyl-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
2-acetyl-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 322.34 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56914310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).