methyl 2-[(E)-3,3-dimethylpentan-2-ylideneamino]oxyacetate

C10H19NO3 — CID 155055483

IUPACmethyl 2-[(E)-3,3-dimethylpentan-2-ylideneamino]oxyacetate
SMILESCCC(C)(C)/C(C)=N/OCC(=O)OC
InChIInChI=1S/C10H19NO3/c1-6-10(3,4)8(2)11-14-7-9(12)13-5/h6-7H2,1-5H3/b11-8+
InChIKeyLRHIFYOXYBYNOJ-DHZHZOJOSA-N
MW201.27 g/mol
LogP1.99
Rot. Bonds5

About methyl 2-[(E)-3,3-dimethylpentan-2-ylideneamino]oxyacetate

methyl 2-[(E)-3,3-dimethylpentan-2-ylideneamino]oxyacetate (PubChem CID 155055483) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-[(E)-3,3-dimethylpentan-2-ylideneamino]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[(E)-3,3-dimethylpentan-2-ylideneamino]oxyacetate
PubChem CID155055483
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-[(E)-3,3-dimethylpentan-2-ylideneamino]oxyacetate
SMILESCCC(C)(C)/C(C)=N/OCC(=O)OC
InChIInChI=1S/C10H19NO3/c1-6-10(3,4)8(2)11-14-7-9(12)13-5/h6-7H2,1-5H3/b11-8+
InChIKeyLRHIFYOXYBYNOJ-DHZHZOJOSA-N
XLogP1.99
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[(E)-3,3-dimethylpentan-2-ylideneamino]oxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(E)-3,3-dimethylpentan-2-ylideneamino]oxyacetate?
The IUPAC name of methyl 2-[(E)-3,3-dimethylpentan-2-ylideneamino]oxyacetate (CID 155055483) is methyl 2-[(E)-3,3-dimethylpentan-2-ylideneamino]oxyacetate.
What is the SMILES notation for methyl 2-[(E)-3,3-dimethylpentan-2-ylideneamino]oxyacetate?
The canonical SMILES for methyl 2-[(E)-3,3-dimethylpentan-2-ylideneamino]oxyacetate is CCC(C)(C)/C(C)=N/OCC(=O)OC.
What is the InChIKey of methyl 2-[(E)-3,3-dimethylpentan-2-ylideneamino]oxyacetate?
The InChIKey is LRHIFYOXYBYNOJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6-10(3,4)8(2)11-14-7-9(12)13-5/h6-7H2,1-5H3/b11-8+.
What are the key properties of methyl 2-[(E)-3,3-dimethylpentan-2-ylideneamino]oxyacetate?
methyl 2-[(E)-3,3-dimethylpentan-2-ylideneamino]oxyacetate has a molecular weight of 201.27 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(E)-3,3-dimethylpentan-2-ylideneamino]oxyacetate is sourced from PubChem (CID 155055483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).