[(E)-(1-ethoxy-1-oxopropan-2-ylidene)amino] 2,2-dimethylpropanoate

C10H17NO4 — CID 166590803

IUPAC[(E)-(1-ethoxy-1-oxopropan-2-ylidene)amino] 2,2-dimethylpropanoate
SMILESCCOC(=O)/C(C)=N/OC(=O)C(C)(C)C
InChIInChI=1S/C10H17NO4/c1-6-14-8(12)7(2)11-15-9(13)10(3,4)5/h6H2,1-5H3/b11-7+
InChIKeyAYEFXEQGWVQYAF-YRNVUSSQSA-N
MW215.25 g/mol
LogP1.51
Rot. Bonds3

About [(E)-(1-ethoxy-1-oxopropan-2-ylidene)amino] 2,2-dimethylpropanoate

[(E)-(1-ethoxy-1-oxopropan-2-ylidene)amino] 2,2-dimethylpropanoate (PubChem CID 166590803) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is [(E)-(1-ethoxy-1-oxopropan-2-ylidene)amino] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(E)-(1-ethoxy-1-oxopropan-2-ylidene)amino] 2,2-dimethylpropanoate
PubChem CID166590803
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name[(E)-(1-ethoxy-1-oxopropan-2-ylidene)amino] 2,2-dimethylpropanoate
SMILESCCOC(=O)/C(C)=N/OC(=O)C(C)(C)C
InChIInChI=1S/C10H17NO4/c1-6-14-8(12)7(2)11-15-9(13)10(3,4)5/h6H2,1-5H3/b11-7+
InChIKeyAYEFXEQGWVQYAF-YRNVUSSQSA-N
XLogP1.51
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-hydroxyiminopropionate
CID 9614318
Ethyl-2-hydroxyiminopropionate
CID 6399798
ethyl (2Z)-2-hydroxyiminopropanoate
CID 6405273
Acetoxime isobutyrate
CID 129695371
ethyl (2E)-2-methoxyiminopropanoate
CID 10419315
ethyl (2E)-2-[(acetyloxy)imino]propanoate
CID 21023714
Ethyl 2-methylpropanoate;propan-2-ylideneazanide
CID 54289731
ethyl (2Z)-2-propoxyiminopropanoate
CID 58567423
ethyl (2Z)-2-acetyloxyiminopropanoate
CID 58619061
ethyl (2Z)-2-methoxyiminopropanoate
CID 59870362
ethyl (2Z)-2-ethoxyiminopropanoate
CID 59870363
Ethyl 2-methoxyiminopropanoate
CID 72583481

Frequently Asked Questions

What is the IUPAC name of [(E)-(1-ethoxy-1-oxopropan-2-ylidene)amino] 2,2-dimethylpropanoate?
The IUPAC name of [(E)-(1-ethoxy-1-oxopropan-2-ylidene)amino] 2,2-dimethylpropanoate (CID 166590803) is [(E)-(1-ethoxy-1-oxopropan-2-ylidene)amino] 2,2-dimethylpropanoate.
What is the SMILES notation for [(E)-(1-ethoxy-1-oxopropan-2-ylidene)amino] 2,2-dimethylpropanoate?
The canonical SMILES for [(E)-(1-ethoxy-1-oxopropan-2-ylidene)amino] 2,2-dimethylpropanoate is CCOC(=O)/C(C)=N/OC(=O)C(C)(C)C.
What is the InChIKey of [(E)-(1-ethoxy-1-oxopropan-2-ylidene)amino] 2,2-dimethylpropanoate?
The InChIKey is AYEFXEQGWVQYAF-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H17NO4/c1-6-14-8(12)7(2)11-15-9(13)10(3,4)5/h6H2,1-5H3/b11-7+.
What are the key properties of [(E)-(1-ethoxy-1-oxopropan-2-ylidene)amino] 2,2-dimethylpropanoate?
[(E)-(1-ethoxy-1-oxopropan-2-ylidene)amino] 2,2-dimethylpropanoate has a molecular weight of 215.25 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(1-ethoxy-1-oxopropan-2-ylidene)amino] 2,2-dimethylpropanoate is sourced from PubChem (CID 166590803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).