2-(cyclopropanecarbonyl)-8-(5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C20H28N4O3 — CID 56884620

IUPAC2-(cyclopropanecarbonyl)-8-(5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCc1cncnc1N1CCC2(CC1)CC(C(=O)O)N(C(=O)C1CC1)C2
InChIInChI=1S/C20H28N4O3/c1-2-3-15-11-21-13-22-17(15)23-8-6-20(7-9-23)10-16(19(26)27)24(12-20)18(25)14-4-5-14/h11,13-14,16H,2-10,12H2,1H3,(H,26,27)
InChIKeySIYUUHMLXJTKKK-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.11
Rot. Bonds5

About 2-(cyclopropanecarbonyl)-8-(5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

2-(cyclopropanecarbonyl)-8-(5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56884620) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(cyclopropanecarbonyl)-8-(5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropanecarbonyl)-8-(5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56884620
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-(cyclopropanecarbonyl)-8-(5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCc1cncnc1N1CCC2(CC1)CC(C(=O)O)N(C(=O)C1CC1)C2
InChIInChI=1S/C20H28N4O3/c1-2-3-15-11-21-13-22-17(15)23-8-6-20(7-9-23)10-16(19(26)27)24(12-20)18(25)14-4-5-14/h11,13-14,16H,2-10,12H2,1H3,(H,26,27)
InChIKeySIYUUHMLXJTKKK-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(cyclopropanecarbonyl)-8-(5-propylpyrimidin-4-yl)-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-(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
(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
8-(5-Fluoro-2-pyrimidinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56887373
2-Acetyl-8-(5-fluoro-2-pyrimidinyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56914310
2-(Cyclopropylcarbonyl)-8-(5-fluoro-2-pyrimidinyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56918220
(3R)-8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95711347
(3S)-8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95711348

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonyl)-8-(5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 2-(cyclopropanecarbonyl)-8-(5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56884620) is 2-(cyclopropanecarbonyl)-8-(5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 2-(cyclopropanecarbonyl)-8-(5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 2-(cyclopropanecarbonyl)-8-(5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCCc1cncnc1N1CCC2(CC1)CC(C(=O)O)N(C(=O)C1CC1)C2.
What is the InChIKey of 2-(cyclopropanecarbonyl)-8-(5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is SIYUUHMLXJTKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-2-3-15-11-21-13-22-17(15)23-8-6-20(7-9-23)10-16(19(26)27)24(12-20)18(25)14-4-5-14/h11,13-14,16H,2-10,12H2,1H3,(H,26,27).
What are the key properties of 2-(cyclopropanecarbonyl)-8-(5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
2-(cyclopropanecarbonyl)-8-(5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 372.47 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonyl)-8-(5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56884620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).