ethene;3-methanidyloxy-3-oxopropanoic acid;yttrium

C6H8O4Y-2 — CID 58915500

IUPACethene;3-methanidyloxy-3-oxopropanoic acid;yttrium
SMILES[CH2-]OC(=O)CC(=O)O.[H][C-]=C.[Y]
InChIInChI=1S/C4H5O4.C2H3.Y/c1-8-4(7)2-3(5)6;1-2;/h1-2H2,(H,5,6);1H,2H2;/q2*-1;
InChIKeyZDAUCOYUASDILU-UHFFFAOYSA-N
MW233.03 g/mol
LogP0.40
Rot. Bonds2

About ethene;3-methanidyloxy-3-oxopropanoic acid;yttrium

ethene;3-methanidyloxy-3-oxopropanoic acid;yttrium (PubChem CID 58915500) has the molecular formula C6H8O4Y-2 and a molecular weight of 233.03 g/mol. Its IUPAC name is ethene;3-methanidyloxy-3-oxopropanoic acid;yttrium.

Molecular Properties

Compound Nameethene;3-methanidyloxy-3-oxopropanoic acid;yttrium
PubChem CID58915500
Molecular FormulaC6H8O4Y-2
Molecular Weight233.03 g/mol
Exact Mass232.95
IUPAC Nameethene;3-methanidyloxy-3-oxopropanoic acid;yttrium
SMILES[CH2-]OC(=O)CC(=O)O.[H][C-]=C.[Y]
InChIInChI=1S/C4H5O4.C2H3.Y/c1-8-4(7)2-3(5)6;1-2;/h1-2H2,(H,5,6);1H,2H2;/q2*-1;
InChIKeyZDAUCOYUASDILU-UHFFFAOYSA-N
XLogP0.40
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.03
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;3-methanidyloxy-3-oxopropanoic acid;yttrium?
The IUPAC name of ethene;3-methanidyloxy-3-oxopropanoic acid;yttrium (CID 58915500) is ethene;3-methanidyloxy-3-oxopropanoic acid;yttrium.
What is the SMILES notation for ethene;3-methanidyloxy-3-oxopropanoic acid;yttrium?
The canonical SMILES for ethene;3-methanidyloxy-3-oxopropanoic acid;yttrium is [CH2-]OC(=O)CC(=O)O.[H][C-]=C.[Y].
What is the InChIKey of ethene;3-methanidyloxy-3-oxopropanoic acid;yttrium?
The InChIKey is ZDAUCOYUASDILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5O4.C2H3.Y/c1-8-4(7)2-3(5)6;1-2;/h1-2H2,(H,5,6);1H,2H2;/q2*-1;.
What are the key properties of ethene;3-methanidyloxy-3-oxopropanoic acid;yttrium?
ethene;3-methanidyloxy-3-oxopropanoic acid;yttrium has a molecular weight of 233.03 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;3-methanidyloxy-3-oxopropanoic acid;yttrium is sourced from PubChem (CID 58915500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).