(4R)-1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C18H27N5O3 — CID 97200200

About (4R)-1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid

(4R)-1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 97200200) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is (4R)-1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

• Compound Name: (4R)-1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• PubChem CID: 97200200
• Molecular Formula: C18H27N5O3
• Molecular Weight: 361.45 g/mol
• Exact Mass: 361.21
• IUPAC Name: (4R)-1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• SMILES: CCCNc1ncc(CN2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)cn1
• InChI: InChI=1S/C18H27N5O3/c1-3-6-19-17-20-10-13(11-21-17)12-23-7-4-18(5-8-23)14(16(25)26)9-15(24)22(18)2/h10-11,14H,3-9,12H2,1-2H3,(H,25,26)(H,19,20,21)/t14-/m0/s1
• InChIKey: KLRFFXXEBYUHTB-AWEZNQCLSA-N
• XLogP: 1.20
• TPSA: 98.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.45
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The IUPAC name of (4R)-1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 97200200) is (4R)-1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

What is the SMILES notation for (4R)-1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The canonical SMILES for (4R)-1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CCCNc1ncc(CN2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)cn1.

What is the InChIKey of (4R)-1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The InChIKey is KLRFFXXEBYUHTB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-3-6-19-17-20-10-13(11-21-17)12-23-7-4-18(5-8-23)14(16(25)26)9-15(24)22(18)2/h10-11,14H,3-9,12H2,1-2H3,(H,25,26)(H,19,20,21)/t14-/m0/s1.

What are the key properties of (4R)-1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

(4R)-1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 361.45 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 97200200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).