8-(cyclopropanecarbonyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C20H28N4O3 — CID 56902154

IUPAC8-(cyclopropanecarbonyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCc1ncc(CN2CC3(CCN(C(=O)C4CC4)CC3)CC2C(=O)O)cn1
InChIInChI=1S/C20H28N4O3/c1-2-17-21-10-14(11-22-17)12-24-13-20(9-16(24)19(26)27)5-7-23(8-6-20)18(25)15-3-4-15/h10-11,15-16H,2-9,12-13H2,1H3,(H,26,27)
InChIKeyDVVCDIVWSHFTDP-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.72
Rot. Bonds5

About 8-(cyclopropanecarbonyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(cyclopropanecarbonyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56902154) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 8-(cyclopropanecarbonyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(cyclopropanecarbonyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56902154
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name8-(cyclopropanecarbonyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCc1ncc(CN2CC3(CCN(C(=O)C4CC4)CC3)CC2C(=O)O)cn1
InChIInChI=1S/C20H28N4O3/c1-2-17-21-10-14(11-22-17)12-24-13-20(9-16(24)19(26)27)5-7-23(8-6-20)18(25)15-3-4-15/h10-11,15-16H,2-9,12-13H2,1H3,(H,26,27)
InChIKeyDVVCDIVWSHFTDP-UHFFFAOYSA-N
XLogP1.72
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(cyclopropanecarbonyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

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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
8-(2-Methyl-5-propyl-4-pyrimidinyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56899484
2-Acetyl-8-(2-pyrimidinylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72890690
1-[(2-ethylpyrimidin-5-yl)methyl]-2-methyl-L-proline
CID 91832281
(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
(3S)-8-(2-methyl-5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95873082
(4S)-8-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97204992
(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 170632031
8-(5-Fluoro-2-pyrimidinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56887373

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropanecarbonyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(cyclopropanecarbonyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56902154) is 8-(cyclopropanecarbonyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(cyclopropanecarbonyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(cyclopropanecarbonyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCc1ncc(CN2CC3(CCN(C(=O)C4CC4)CC3)CC2C(=O)O)cn1.
What is the InChIKey of 8-(cyclopropanecarbonyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is DVVCDIVWSHFTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-2-17-21-10-14(11-22-17)12-24-13-20(9-16(24)19(26)27)5-7-23(8-6-20)18(25)15-3-4-15/h10-11,15-16H,2-9,12-13H2,1H3,(H,26,27).
What are the key properties of 8-(cyclopropanecarbonyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(cyclopropanecarbonyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 372.47 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropanecarbonyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56902154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).