[2-[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]ethoxy]acetyl]azanide;yttrium

C8H15N2O5Y- — CID 155596009

IUPAC[2-[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]ethoxy]acetyl]azanide;yttrium
SMILES[NH-]C(=O)COCCOCC(=O)NCCO.[Y]
InChIInChI=1S/C8H16N2O5.Y/c9-7(12)5-14-3-4-15-6-8(13)10-1-2-11;/h11H,1-6H2,(H3,9,10,12,13);/p-1
InChIKeyXVDDYCRLFKIYDA-UHFFFAOYSA-M
MW308.12 g/mol
LogP-1.30
Rot. Bonds9

About [2-[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]ethoxy]acetyl]azanide;yttrium

[2-[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]ethoxy]acetyl]azanide;yttrium (PubChem CID 155596009) has the molecular formula C8H15N2O5Y- and a molecular weight of 308.12 g/mol. Its IUPAC name is [2-[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]ethoxy]acetyl]azanide;yttrium.

Molecular Properties

Compound Name[2-[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]ethoxy]acetyl]azanide;yttrium
PubChem CID155596009
Molecular FormulaC8H15N2O5Y-
Molecular Weight308.12 g/mol
Exact Mass308.00
IUPAC Name[2-[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]ethoxy]acetyl]azanide;yttrium
SMILES[NH-]C(=O)COCCOCC(=O)NCCO.[Y]
InChIInChI=1S/C8H16N2O5.Y/c9-7(12)5-14-3-4-15-6-8(13)10-1-2-11;/h11H,1-6H2,(H3,9,10,12,13);/p-1
InChIKeyXVDDYCRLFKIYDA-UHFFFAOYSA-M
XLogP-1.30
TPSA108.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]ethoxy]acetyl]azanide;yttrium?
The IUPAC name of [2-[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]ethoxy]acetyl]azanide;yttrium (CID 155596009) is [2-[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]ethoxy]acetyl]azanide;yttrium.
What is the SMILES notation for [2-[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]ethoxy]acetyl]azanide;yttrium?
The canonical SMILES for [2-[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]ethoxy]acetyl]azanide;yttrium is [NH-]C(=O)COCCOCC(=O)NCCO.[Y].
What is the InChIKey of [2-[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]ethoxy]acetyl]azanide;yttrium?
The InChIKey is XVDDYCRLFKIYDA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16N2O5.Y/c9-7(12)5-14-3-4-15-6-8(13)10-1-2-11;/h11H,1-6H2,(H3,9,10,12,13);/p-1.
What are the key properties of [2-[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]ethoxy]acetyl]azanide;yttrium?
[2-[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]ethoxy]acetyl]azanide;yttrium has a molecular weight of 308.12 g/mol, XLogP of -1.30, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]ethoxy]acetyl]azanide;yttrium is sourced from PubChem (CID 155596009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).