diethyl 2-acetamido-2-[(E)-2-methoxyethenyl]propanedioate

C12H19NO6 — CID 11011158

IUPACdiethyl 2-acetamido-2-[(E)-2-methoxyethenyl]propanedioate
SMILESCCOC(=O)C(/C=C/OC)(NC(C)=O)C(=O)OCC
InChIInChI=1S/C12H19NO6/c1-5-18-10(15)12(7-8-17-4,13-9(3)14)11(16)19-6-2/h7-8H,5-6H2,1-4H3,(H,13,14)/b8-7+
InChIKeyGHDXKZGQRILEAH-BQYQJAHWSA-N
MW273.28 g/mol
LogP0.15
Rot. Bonds7

About diethyl 2-acetamido-2-[(E)-2-methoxyethenyl]propanedioate

diethyl 2-acetamido-2-[(E)-2-methoxyethenyl]propanedioate (PubChem CID 11011158) has the molecular formula C12H19NO6 and a molecular weight of 273.28 g/mol. Its IUPAC name is diethyl 2-acetamido-2-[(E)-2-methoxyethenyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-acetamido-2-[(E)-2-methoxyethenyl]propanedioate
PubChem CID11011158
Molecular FormulaC12H19NO6
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Namediethyl 2-acetamido-2-[(E)-2-methoxyethenyl]propanedioate
SMILESCCOC(=O)C(/C=C/OC)(NC(C)=O)C(=O)OCC
InChIInChI=1S/C12H19NO6/c1-5-18-10(15)12(7-8-17-4,13-9(3)14)11(16)19-6-2/h7-8H,5-6H2,1-4H3,(H,13,14)/b8-7+
InChIKeyGHDXKZGQRILEAH-BQYQJAHWSA-N
XLogP0.15
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 101214772
ethyl (2R)-2-acetamido-3,3,3-trifluoro-2-hydroxypropanoate
CID 7037438
diethyl 2-[(Z)-but-2-en-2-yl]-2-methylpropanedioate
CID 92524239
ethyl 2-acetamido-2-(acetyloxymethyl)hex-5-enoate
CID 88577080
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CID 177386572
ethyl (2S)-2-acetamido-2-ethyl-4-methylpentanoate
CID 12042577
ethyl 2-(ethylamino)-2-methylbut-3-enoate
CID 123159457
diethyl 2-hydroxy-2-(3,3,3-trifluoro-2-oxopropyl)propanedioate
CID 174437324
diethyl 2-acetamido-2-[(Z)-3-phenylbut-2-enyl]propanedioate
CID 102185149
diethyl 2-acetamido-2-pent-1-ynylpropanedioate
CID 139666007
ethyl 2-acetamido-3,3,3-trifluoro-2-(2-methoxyethylamino)propanoate
CID 3816115
CID 175796855
CID 175796855

Frequently Asked Questions

What is the IUPAC name of diethyl 2-acetamido-2-[(E)-2-methoxyethenyl]propanedioate?
The IUPAC name of diethyl 2-acetamido-2-[(E)-2-methoxyethenyl]propanedioate (CID 11011158) is diethyl 2-acetamido-2-[(E)-2-methoxyethenyl]propanedioate.
What is the SMILES notation for diethyl 2-acetamido-2-[(E)-2-methoxyethenyl]propanedioate?
The canonical SMILES for diethyl 2-acetamido-2-[(E)-2-methoxyethenyl]propanedioate is CCOC(=O)C(/C=C/OC)(NC(C)=O)C(=O)OCC.
What is the InChIKey of diethyl 2-acetamido-2-[(E)-2-methoxyethenyl]propanedioate?
The InChIKey is GHDXKZGQRILEAH-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H19NO6/c1-5-18-10(15)12(7-8-17-4,13-9(3)14)11(16)19-6-2/h7-8H,5-6H2,1-4H3,(H,13,14)/b8-7+.
What are the key properties of diethyl 2-acetamido-2-[(E)-2-methoxyethenyl]propanedioate?
diethyl 2-acetamido-2-[(E)-2-methoxyethenyl]propanedioate has a molecular weight of 273.28 g/mol, XLogP of 0.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-acetamido-2-[(E)-2-methoxyethenyl]propanedioate is sourced from PubChem (CID 11011158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).