[3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoyl]azanium

C14H24N3O4+ — CID 148619155

About [3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoyl]azanium

[3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoyl]azanium (PubChem CID 148619155) has the molecular formula C14H24N3O4+ and a molecular weight of 298.36 g/mol. Its IUPAC name is [3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoyl]azanium.

Molecular Properties

• Compound Name: [3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoyl]azanium
• PubChem CID: 148619155
• Molecular Formula: C14H24N3O4+
• Molecular Weight: 298.36 g/mol
• Exact Mass: 298.18
• IUPAC Name: [3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoyl]azanium
• SMILES: CC(C)C(=O)N1CCCC12CN(C(C([NH3+])=O)C(C)O)C2=O
• InChI: InChI=1S/C14H23N3O4/c1-8(2)12(20)17-6-4-5-14(17)7-16(13(14)21)10(9(3)18)11(15)19/h8-10,18H,4-7H2,1-3H3,(H2,15,19)/p+1
• InChIKey: NFXPEHLDVKVVKA-UHFFFAOYSA-O
• XLogP: -1.64
• TPSA: 105.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.36
LogP ≤ 5	-1.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoyl]azanium?

The IUPAC name of [3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoyl]azanium (CID 148619155) is [3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoyl]azanium.

What is the SMILES notation for [3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoyl]azanium?

The canonical SMILES for [3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoyl]azanium is CC(C)C(=O)N1CCCC12CN(C(C([NH3+])=O)C(C)O)C2=O.

What is the InChIKey of [3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoyl]azanium?

The InChIKey is NFXPEHLDVKVVKA-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H23N3O4/c1-8(2)12(20)17-6-4-5-14(17)7-16(13(14)21)10(9(3)18)11(15)19/h8-10,18H,4-7H2,1-3H3,(H2,15,19)/p+1.

What are the key properties of [3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoyl]azanium?

[3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoyl]azanium has a molecular weight of 298.36 g/mol, XLogP of -1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoyl]azanium is sourced from PubChem (CID 148619155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).