(4R)-1-methyl-2-oxo-8-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C15H22N4O3S — CID 97190831

About (4R)-1-methyl-2-oxo-8-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid

(4R)-1-methyl-2-oxo-8-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 97190831) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is (4R)-1-methyl-2-oxo-8-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

• Compound Name: (4R)-1-methyl-2-oxo-8-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• PubChem CID: 97190831
• Molecular Formula: C15H22N4O3S
• Molecular Weight: 338.43 g/mol
• Exact Mass: 338.14
• IUPAC Name: (4R)-1-methyl-2-oxo-8-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• SMILES: CC(C)c1nnc(N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)s1
• InChI: InChI=1S/C15H22N4O3S/c1-9(2)12-16-17-14(23-12)19-6-4-15(5-7-19)10(13(21)22)8-11(20)18(15)3/h9-10H,4-8H2,1-3H3,(H,21,22)/t10-/m0/s1
• InChIKey: VEMAOOVKVPTQHT-JTQLQIEISA-N
• XLogP: 1.56
• TPSA: 86.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.43
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-2-oxo-8-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The IUPAC name of (4R)-1-methyl-2-oxo-8-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 97190831) is (4R)-1-methyl-2-oxo-8-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

What is the SMILES notation for (4R)-1-methyl-2-oxo-8-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The canonical SMILES for (4R)-1-methyl-2-oxo-8-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CC(C)c1nnc(N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)s1.

What is the InChIKey of (4R)-1-methyl-2-oxo-8-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The InChIKey is VEMAOOVKVPTQHT-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-9(2)12-16-17-14(23-12)19-6-4-15(5-7-19)10(13(21)22)8-11(20)18(15)3/h9-10H,4-8H2,1-3H3,(H,21,22)/t10-/m0/s1.

What are the key properties of (4R)-1-methyl-2-oxo-8-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

(4R)-1-methyl-2-oxo-8-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 338.43 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-1-methyl-2-oxo-8-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 97190831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).