(2Z)-2-methoxyimino-3-oxobutanoic acid;yttrium

C5H6NO4Y- — CID 59676236

IUPAC(2Z)-2-methoxyimino-3-oxobutanoic acid;yttrium
SMILES[CH2-]C(=O)/C(=N/OC)C(=O)O.[Y]
InChIInChI=1S/C5H6NO4.Y/c1-3(7)4(5(8)9)6-10-2;/h1H2,2H3,(H,8,9);/q-1;/b6-4-;
InChIKeyAKNRAVVTIDXHGU-YHSAGPEESA-N
MW233.01 g/mol
LogP-0.53
Rot. Bonds3

About (2Z)-2-methoxyimino-3-oxobutanoic acid;yttrium

(2Z)-2-methoxyimino-3-oxobutanoic acid;yttrium (PubChem CID 59676236) has the molecular formula C5H6NO4Y- and a molecular weight of 233.01 g/mol. Its IUPAC name is (2Z)-2-methoxyimino-3-oxobutanoic acid;yttrium.

Molecular Properties

Compound Name(2Z)-2-methoxyimino-3-oxobutanoic acid;yttrium
PubChem CID59676236
Molecular FormulaC5H6NO4Y-
Molecular Weight233.01 g/mol
Exact Mass232.94
IUPAC Name(2Z)-2-methoxyimino-3-oxobutanoic acid;yttrium
SMILES[CH2-]C(=O)/C(=N/OC)C(=O)O.[Y]
InChIInChI=1S/C5H6NO4.Y/c1-3(7)4(5(8)9)6-10-2;/h1H2,2H3,(H,8,9);/q-1;/b6-4-;
InChIKeyAKNRAVVTIDXHGU-YHSAGPEESA-N
XLogP-0.53
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.01
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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 (2Z)-2-methoxyimino-3-oxobutanoic acid;yttrium?
The IUPAC name of (2Z)-2-methoxyimino-3-oxobutanoic acid;yttrium (CID 59676236) is (2Z)-2-methoxyimino-3-oxobutanoic acid;yttrium.
What is the SMILES notation for (2Z)-2-methoxyimino-3-oxobutanoic acid;yttrium?
The canonical SMILES for (2Z)-2-methoxyimino-3-oxobutanoic acid;yttrium is [CH2-]C(=O)/C(=N/OC)C(=O)O.[Y].
What is the InChIKey of (2Z)-2-methoxyimino-3-oxobutanoic acid;yttrium?
The InChIKey is AKNRAVVTIDXHGU-YHSAGPEESA-N. The full InChI is InChI=1S/C5H6NO4.Y/c1-3(7)4(5(8)9)6-10-2;/h1H2,2H3,(H,8,9);/q-1;/b6-4-;.
What are the key properties of (2Z)-2-methoxyimino-3-oxobutanoic acid;yttrium?
(2Z)-2-methoxyimino-3-oxobutanoic acid;yttrium has a molecular weight of 233.01 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-methoxyimino-3-oxobutanoic acid;yttrium is sourced from PubChem (CID 59676236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).