methyl 2-[2-(propan-2-ylideneamino)oxyacetyl]oxyacetate;vanadium

C8H13NO5V — CID 158046922

IUPACmethyl 2-[2-(propan-2-ylideneamino)oxyacetyl]oxyacetate;vanadium
SMILESCOC(=O)COC(=O)CON=C(C)C.[V]
InChIInChI=1S/C8H13NO5.V/c1-6(2)9-14-5-8(11)13-4-7(10)12-3;/h4-5H2,1-3H3;
InChIKeyFJAJWRGTCNRGRE-UHFFFAOYSA-N
MW254.14 g/mol
LogP0.11
Rot. Bonds5

About methyl 2-[2-(propan-2-ylideneamino)oxyacetyl]oxyacetate;vanadium

methyl 2-[2-(propan-2-ylideneamino)oxyacetyl]oxyacetate;vanadium (PubChem CID 158046922) has the molecular formula C8H13NO5V and a molecular weight of 254.14 g/mol. Its IUPAC name is methyl 2-[2-(propan-2-ylideneamino)oxyacetyl]oxyacetate;vanadium.

Molecular Properties

Compound Namemethyl 2-[2-(propan-2-ylideneamino)oxyacetyl]oxyacetate;vanadium
PubChem CID158046922
Molecular FormulaC8H13NO5V
Molecular Weight254.14 g/mol
Exact Mass254.02
IUPAC Namemethyl 2-[2-(propan-2-ylideneamino)oxyacetyl]oxyacetate;vanadium
SMILESCOC(=O)COC(=O)CON=C(C)C.[V]
InChIInChI=1S/C8H13NO5.V/c1-6(2)9-14-5-8(11)13-4-7(10)12-3;/h4-5H2,1-3H3;
InChIKeyFJAJWRGTCNRGRE-UHFFFAOYSA-N
XLogP0.11
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 methyl 2-[2-(propan-2-ylideneamino)oxyacetyl]oxyacetate;vanadium?
The IUPAC name of methyl 2-[2-(propan-2-ylideneamino)oxyacetyl]oxyacetate;vanadium (CID 158046922) is methyl 2-[2-(propan-2-ylideneamino)oxyacetyl]oxyacetate;vanadium.
What is the SMILES notation for methyl 2-[2-(propan-2-ylideneamino)oxyacetyl]oxyacetate;vanadium?
The canonical SMILES for methyl 2-[2-(propan-2-ylideneamino)oxyacetyl]oxyacetate;vanadium is COC(=O)COC(=O)CON=C(C)C.[V].
What is the InChIKey of methyl 2-[2-(propan-2-ylideneamino)oxyacetyl]oxyacetate;vanadium?
The InChIKey is FJAJWRGTCNRGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5.V/c1-6(2)9-14-5-8(11)13-4-7(10)12-3;/h4-5H2,1-3H3;.
What are the key properties of methyl 2-[2-(propan-2-ylideneamino)oxyacetyl]oxyacetate;vanadium?
methyl 2-[2-(propan-2-ylideneamino)oxyacetyl]oxyacetate;vanadium has a molecular weight of 254.14 g/mol, XLogP of 0.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(propan-2-ylideneamino)oxyacetyl]oxyacetate;vanadium is sourced from PubChem (CID 158046922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).