(2R)-2-[9-(5-methylthiophene-3-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid

C18H24N2O4S — CID 97151972

About (2R)-2-[9-(5-methylthiophene-3-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid

(2R)-2-[9-(5-methylthiophene-3-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid (PubChem CID 97151972) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is (2R)-2-[9-(5-methylthiophene-3-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid.

Molecular Properties

• Compound Name: (2R)-2-[9-(5-methylthiophene-3-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
• PubChem CID: 97151972
• Molecular Formula: C18H24N2O4S
• Molecular Weight: 364.47 g/mol
• Exact Mass: 364.15
• IUPAC Name: (2R)-2-[9-(5-methylthiophene-3-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
• SMILES: Cc1cc(C(=O)N2CCC3(CCC(=O)N([C@H](C)C(=O)O)C3)CC2)cs1
• InChI: InChI=1S/C18H24N2O4S/c1-12-9-14(10-25-12)16(22)19-7-5-18(6-8-19)4-3-15(21)20(11-18)13(2)17(23)24/h9-10,13H,3-8,11H2,1-2H3,(H,23,24)/t13-/m1/s1
• InChIKey: KFQGNDJXXKYKTP-CYBMUJFWSA-N
• XLogP: 2.37
• TPSA: 77.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.47
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[9-(5-methylthiophene-3-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid?

The IUPAC name of (2R)-2-[9-(5-methylthiophene-3-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid (CID 97151972) is (2R)-2-[9-(5-methylthiophene-3-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid.

What is the SMILES notation for (2R)-2-[9-(5-methylthiophene-3-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid?

The canonical SMILES for (2R)-2-[9-(5-methylthiophene-3-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid is Cc1cc(C(=O)N2CCC3(CCC(=O)N([C@H](C)C(=O)O)C3)CC2)cs1.

What is the InChIKey of (2R)-2-[9-(5-methylthiophene-3-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid?

The InChIKey is KFQGNDJXXKYKTP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-12-9-14(10-25-12)16(22)19-7-5-18(6-8-19)4-3-15(21)20(11-18)13(2)17(23)24/h9-10,13H,3-8,11H2,1-2H3,(H,23,24)/t13-/m1/s1.

What are the key properties of (2R)-2-[9-(5-methylthiophene-3-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid?

(2R)-2-[9-(5-methylthiophene-3-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid has a molecular weight of 364.47 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[9-(5-methylthiophene-3-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid is sourced from PubChem (CID 97151972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).