(4R)-8-(6-carboxypyrimidin-4-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C15H18N4O5 — CID 97202971

About (4R)-8-(6-carboxypyrimidin-4-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

(4R)-8-(6-carboxypyrimidin-4-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 97202971) has the molecular formula C15H18N4O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is (4R)-8-(6-carboxypyrimidin-4-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

• Compound Name: (4R)-8-(6-carboxypyrimidin-4-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• PubChem CID: 97202971
• Molecular Formula: C15H18N4O5
• Molecular Weight: 334.33 g/mol
• Exact Mass: 334.13
• IUPAC Name: (4R)-8-(6-carboxypyrimidin-4-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• SMILES: CN1C(=O)C[C@@H](C(=O)O)C12CCN(c1cc(C(=O)O)ncn1)CC2
• InChI: InChI=1S/C15H18N4O5/c1-18-12(20)6-9(13(21)22)15(18)2-4-19(5-3-15)11-7-10(14(23)24)16-8-17-11/h7-9H,2-6H2,1H3,(H,21,22)(H,23,24)/t9-/m0/s1
• InChIKey: ZWAVBMHGPSRRIM-VIFPVBQESA-N
• XLogP: 0.08
• TPSA: 123.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.33
LogP ≤ 5	0.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-8-(6-carboxypyrimidin-4-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The IUPAC name of (4R)-8-(6-carboxypyrimidin-4-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 97202971) is (4R)-8-(6-carboxypyrimidin-4-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

What is the SMILES notation for (4R)-8-(6-carboxypyrimidin-4-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The canonical SMILES for (4R)-8-(6-carboxypyrimidin-4-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CN1C(=O)C[C@@H](C(=O)O)C12CCN(c1cc(C(=O)O)ncn1)CC2.

What is the InChIKey of (4R)-8-(6-carboxypyrimidin-4-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The InChIKey is ZWAVBMHGPSRRIM-VIFPVBQESA-N. The full InChI is InChI=1S/C15H18N4O5/c1-18-12(20)6-9(13(21)22)15(18)2-4-19(5-3-15)11-7-10(14(23)24)16-8-17-11/h7-9H,2-6H2,1H3,(H,21,22)(H,23,24)/t9-/m0/s1.

What are the key properties of (4R)-8-(6-carboxypyrimidin-4-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

(4R)-8-(6-carboxypyrimidin-4-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 334.33 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-8-(6-carboxypyrimidin-4-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 97202971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).