2-oxo-8-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C18H25N5O3 — CID 72842961

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

2-oxo-8-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72842961) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-oxo-8-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-oxo-8-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• PubChem CID: 72842961
• Molecular Formula: C18H25N5O3
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.20
• IUPAC Name: 2-oxo-8-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• SMILES: O=C1CC(C(=O)O)C2(CCN(Cc3cnc(N4CCCC4)nc3)CC2)N1
• InChI: InChI=1S/C18H25N5O3/c24-15-9-14(16(25)26)18(21-15)3-7-22(8-4-18)12-13-10-19-17(20-11-13)23-5-1-2-6-23/h10-11,14H,1-9,12H2,(H,21,24)(H,25,26)
• InChIKey: MEIBBPDRTVSJQL-UHFFFAOYSA-N
• XLogP: 0.63
• TPSA: 98.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	0.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-oxo-8-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72842961) is 2-oxo-8-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

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

The canonical SMILES for 2-oxo-8-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid is O=C1CC(C(=O)O)C2(CCN(Cc3cnc(N4CCCC4)nc3)CC2)N1.

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

The InChIKey is MEIBBPDRTVSJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c24-15-9-14(16(25)26)18(21-15)3-7-22(8-4-18)12-13-10-19-17(20-11-13)23-5-1-2-6-23/h10-11,14H,1-9,12H2,(H,21,24)(H,25,26).

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

2-oxo-8-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 359.43 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-oxo-8-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72842961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).