(3R)-2-(cyclopropanecarbonyl)-8-[6-(dimethylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C19H27N5O3 — CID 95869360

About (3R)-2-(cyclopropanecarbonyl)-8-[6-(dimethylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3R)-2-(cyclopropanecarbonyl)-8-[6-(dimethylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 95869360) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is (3R)-2-(cyclopropanecarbonyl)-8-[6-(dimethylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

• Compound Name: (3R)-2-(cyclopropanecarbonyl)-8-[6-(dimethylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• PubChem CID: 95869360
• Molecular Formula: C19H27N5O3
• Molecular Weight: 373.46 g/mol
• Exact Mass: 373.21
• IUPAC Name: (3R)-2-(cyclopropanecarbonyl)-8-[6-(dimethylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• SMILES: CN(C)c1cc(N2CCC3(CC2)C[C@H](C(=O)O)N(C(=O)C2CC2)C3)ncn1
• InChI: InChI=1S/C19H27N5O3/c1-22(2)15-9-16(21-12-20-15)23-7-5-19(6-8-23)10-14(18(26)27)24(11-19)17(25)13-3-4-13/h9,12-14H,3-8,10-11H2,1-2H3,(H,26,27)/t14-/m1/s1
• InChIKey: XOWJIBOVCUWORH-CQSZACIVSA-N
• XLogP: 1.22
• TPSA: 89.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.46
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(cyclopropanecarbonyl)-8-[6-(dimethylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The IUPAC name of (3R)-2-(cyclopropanecarbonyl)-8-[6-(dimethylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 95869360) is (3R)-2-(cyclopropanecarbonyl)-8-[6-(dimethylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

What is the SMILES notation for (3R)-2-(cyclopropanecarbonyl)-8-[6-(dimethylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The canonical SMILES for (3R)-2-(cyclopropanecarbonyl)-8-[6-(dimethylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CN(C)c1cc(N2CCC3(CC2)C[C@H](C(=O)O)N(C(=O)C2CC2)C3)ncn1.

What is the InChIKey of (3R)-2-(cyclopropanecarbonyl)-8-[6-(dimethylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The InChIKey is XOWJIBOVCUWORH-CQSZACIVSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-22(2)15-9-16(21-12-20-15)23-7-5-19(6-8-23)10-14(18(26)27)24(11-19)17(25)13-3-4-13/h9,12-14H,3-8,10-11H2,1-2H3,(H,26,27)/t14-/m1/s1.

What are the key properties of (3R)-2-(cyclopropanecarbonyl)-8-[6-(dimethylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

(3R)-2-(cyclopropanecarbonyl)-8-[6-(dimethylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 373.46 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-2-(cyclopropanecarbonyl)-8-[6-(dimethylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 95869360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).