[6-(2-carboxy-2-methylpropyl)-2,6-diazaspiro[3.3]heptan-2-yl]-[3-[[2-[(3,5-dichloro-2-pyridinyl)oxy]butanoylamino]methyl]phenyl]azanide;yttrium

C26H32Cl2N5O4Y- — CID 170612743

About [6-(2-carboxy-2-methylpropyl)-2,6-diazaspiro[3.3]heptan-2-yl]-[3-[[2-[(3,5-dichloro-2-pyridinyl)oxy]butanoylamino]methyl]phenyl]azanide;yttrium

[6-(2-carboxy-2-methylpropyl)-2,6-diazaspiro[3.3]heptan-2-yl]-[3-[[2-[(3,5-dichloro-2-pyridinyl)oxy]butanoylamino]methyl]phenyl]azanide;yttrium (PubChem CID 170612743) has the molecular formula C26H32Cl2N5O4Y- and a molecular weight of 638.39 g/mol. Its IUPAC name is [6-(2-carboxy-2-methylpropyl)-2,6-diazaspiro[3.3]heptan-2-yl]-[3-[[2-[(3,5-dichloro-2-pyridinyl)oxy]butanoylamino]methyl]phenyl]azanide;yttrium.

Molecular Properties

• Compound Name: [6-(2-carboxy-2-methylpropyl)-2,6-diazaspiro[3.3]heptan-2-yl]-[3-[[2-[(3,5-dichloro-2-pyridinyl)oxy]butanoylamino]methyl]phenyl]azanide;yttrium
• PubChem CID: 170612743
• Molecular Formula: C26H32Cl2N5O4Y-
• Molecular Weight: 638.39 g/mol
• Exact Mass: 637.09
• IUPAC Name: [6-(2-carboxy-2-methylpropyl)-2,6-diazaspiro[3.3]heptan-2-yl]-[3-[[2-[(3,5-dichloro-2-pyridinyl)oxy]butanoylamino]methyl]phenyl]azanide;yttrium
• SMILES: CCC(Oc1ncc(Cl)cc1Cl)C(=O)NCc1cccc([N-]N2CC3(CN(CC(C)(C)C(=O)O)C3)C2)c1.[Y]
• InChI: InChI=1S/C26H32Cl2N5O4.Y/c1-4-21(37-23-20(28)9-18(27)11-30-23)22(34)29-10-17-6-5-7-19(8-17)31-33-15-26(16-33)13-32(14-26)12-25(2,3)24(35)36;/h5-9,11,21H,4,10,12-16H2,1-3H3,(H,29,34)(H,35,36);/q-1
• InChIKey: WXMTXFBNYSSWOH-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 109.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	638.39
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [6-(2-carboxy-2-methylpropyl)-2,6-diazaspiro[3.3]heptan-2-yl]-[3-[[2-[(3,5-dichloro-2-pyridinyl)oxy]butanoylamino]methyl]phenyl]azanide;yttrium?

The IUPAC name of [6-(2-carboxy-2-methylpropyl)-2,6-diazaspiro[3.3]heptan-2-yl]-[3-[[2-[(3,5-dichloro-2-pyridinyl)oxy]butanoylamino]methyl]phenyl]azanide;yttrium (CID 170612743) is [6-(2-carboxy-2-methylpropyl)-2,6-diazaspiro[3.3]heptan-2-yl]-[3-[[2-[(3,5-dichloro-2-pyridinyl)oxy]butanoylamino]methyl]phenyl]azanide;yttrium.

What is the SMILES notation for [6-(2-carboxy-2-methylpropyl)-2,6-diazaspiro[3.3]heptan-2-yl]-[3-[[2-[(3,5-dichloro-2-pyridinyl)oxy]butanoylamino]methyl]phenyl]azanide;yttrium?

The canonical SMILES for [6-(2-carboxy-2-methylpropyl)-2,6-diazaspiro[3.3]heptan-2-yl]-[3-[[2-[(3,5-dichloro-2-pyridinyl)oxy]butanoylamino]methyl]phenyl]azanide;yttrium is CCC(Oc1ncc(Cl)cc1Cl)C(=O)NCc1cccc([N-]N2CC3(CN(CC(C)(C)C(=O)O)C3)C2)c1.[Y].

What is the InChIKey of [6-(2-carboxy-2-methylpropyl)-2,6-diazaspiro[3.3]heptan-2-yl]-[3-[[2-[(3,5-dichloro-2-pyridinyl)oxy]butanoylamino]methyl]phenyl]azanide;yttrium?

The InChIKey is WXMTXFBNYSSWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32Cl2N5O4.Y/c1-4-21(37-23-20(28)9-18(27)11-30-23)22(34)29-10-17-6-5-7-19(8-17)31-33-15-26(16-33)13-32(14-26)12-25(2,3)24(35)36;/h5-9,11,21H,4,10,12-16H2,1-3H3,(H,29,34)(H,35,36);/q-1;.

What are the key properties of [6-(2-carboxy-2-methylpropyl)-2,6-diazaspiro[3.3]heptan-2-yl]-[3-[[2-[(3,5-dichloro-2-pyridinyl)oxy]butanoylamino]methyl]phenyl]azanide;yttrium?

[6-(2-carboxy-2-methylpropyl)-2,6-diazaspiro[3.3]heptan-2-yl]-[3-[[2-[(3,5-dichloro-2-pyridinyl)oxy]butanoylamino]methyl]phenyl]azanide;yttrium has a molecular weight of 638.39 g/mol, XLogP of 4.51, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(2-carboxy-2-methylpropyl)-2,6-diazaspiro[3.3]heptan-2-yl]-[3-[[2-[(3,5-dichloro-2-pyridinyl)oxy]butanoylamino]methyl]phenyl]azanide;yttrium is sourced from PubChem (CID 170612743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).