carbanide;2-(piperidin-1-id-4-ylideneamino)oxyacetic acid;yttrium

C8H14N2O3Y-2 — CID 58378569

IUPACcarbanide;2-(piperidin-1-id-4-ylideneamino)oxyacetic acid;yttrium
SMILESO=C(O)CON=C1CC[N-]CC1.[CH3-].[Y]
InChIInChI=1S/C7H11N2O3.CH3.Y/c10-7(11)5-12-9-6-1-3-8-4-2-6;;/h1-5H2,(H,10,11);1H3;/q2*-1;
InChIKeyGUKNEPOZEKZAAM-UHFFFAOYSA-N
MW275.12 g/mol
LogP1.06
Rot. Bonds3

About carbanide;2-(piperidin-1-id-4-ylideneamino)oxyacetic acid;yttrium

carbanide;2-(piperidin-1-id-4-ylideneamino)oxyacetic acid;yttrium (PubChem CID 58378569) has the molecular formula C8H14N2O3Y-2 and a molecular weight of 275.12 g/mol. Its IUPAC name is carbanide;2-(piperidin-1-id-4-ylideneamino)oxyacetic acid;yttrium.

Molecular Properties

Compound Namecarbanide;2-(piperidin-1-id-4-ylideneamino)oxyacetic acid;yttrium
PubChem CID58378569
Molecular FormulaC8H14N2O3Y-2
Molecular Weight275.12 g/mol
Exact Mass275.01
IUPAC Namecarbanide;2-(piperidin-1-id-4-ylideneamino)oxyacetic acid;yttrium
SMILESO=C(O)CON=C1CC[N-]CC1.[CH3-].[Y]
InChIInChI=1S/C7H11N2O3.CH3.Y/c10-7(11)5-12-9-6-1-3-8-4-2-6;;/h1-5H2,(H,10,11);1H3;/q2*-1;
InChIKeyGUKNEPOZEKZAAM-UHFFFAOYSA-N
XLogP1.06
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;2-(piperidin-1-id-4-ylideneamino)oxyacetic acid;yttrium?
The IUPAC name of carbanide;2-(piperidin-1-id-4-ylideneamino)oxyacetic acid;yttrium (CID 58378569) is carbanide;2-(piperidin-1-id-4-ylideneamino)oxyacetic acid;yttrium.
What is the SMILES notation for carbanide;2-(piperidin-1-id-4-ylideneamino)oxyacetic acid;yttrium?
The canonical SMILES for carbanide;2-(piperidin-1-id-4-ylideneamino)oxyacetic acid;yttrium is O=C(O)CON=C1CC[N-]CC1.[CH3-].[Y].
What is the InChIKey of carbanide;2-(piperidin-1-id-4-ylideneamino)oxyacetic acid;yttrium?
The InChIKey is GUKNEPOZEKZAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2O3.CH3.Y/c10-7(11)5-12-9-6-1-3-8-4-2-6;;/h1-5H2,(H,10,11);1H3;/q2*-1;.
What are the key properties of carbanide;2-(piperidin-1-id-4-ylideneamino)oxyacetic acid;yttrium?
carbanide;2-(piperidin-1-id-4-ylideneamino)oxyacetic acid;yttrium has a molecular weight of 275.12 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-(piperidin-1-id-4-ylideneamino)oxyacetic acid;yttrium is sourced from PubChem (CID 58378569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).