diethyl 2-acetamido-2-(2-methoxyethyl)propanedioate

C12H21NO6 — CID 54051580

IUPACdiethyl 2-acetamido-2-(2-methoxyethyl)propanedioate
SMILESCCOC(=O)C(CCOC)(NC(C)=O)C(=O)OCC
InChIInChI=1S/C12H21NO6/c1-5-18-10(15)12(7-8-17-4,13-9(3)14)11(16)19-6-2/h5-8H2,1-4H3,(H,13,14)
InChIKeyLTGAZAVWXAXYBV-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.02
Rot. Bonds8

About diethyl 2-acetamido-2-(2-methoxyethyl)propanedioate

diethyl 2-acetamido-2-(2-methoxyethyl)propanedioate (PubChem CID 54051580) has the molecular formula C12H21NO6 and a molecular weight of 275.30 g/mol. Its IUPAC name is diethyl 2-acetamido-2-(2-methoxyethyl)propanedioate.

Molecular Properties

Compound Namediethyl 2-acetamido-2-(2-methoxyethyl)propanedioate
PubChem CID54051580
Molecular FormulaC12H21NO6
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC Namediethyl 2-acetamido-2-(2-methoxyethyl)propanedioate
SMILESCCOC(=O)C(CCOC)(NC(C)=O)C(=O)OCC
InChIInChI=1S/C12H21NO6/c1-5-18-10(15)12(7-8-17-4,13-9(3)14)11(16)19-6-2/h5-8H2,1-4H3,(H,13,14)
InChIKeyLTGAZAVWXAXYBV-UHFFFAOYSA-N
XLogP0.02
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 2-acetamido-2-methylpropanedioate
CID 575660
Diethyl 2-acetamido-2-prop-2-ynylpropanedioate
CID 587862
Diethyl acetamido(2-fluoroethyl)malonate
CID 13866145
1,2-Diacetamidotetraethoxycarbonylethane
CID 12265785
Diethyl acetamido(ethyl)propanedioate
CID 13945395
2-Acetamido-2-ethoxycarbonylbutanoic acid
CID 13945398
Diethyl 2-acetamido-2-(2-oxoethyl)propanedioate
CID 14787129
Diethyl 2-acetamido-2-(cyanomethyl)propanedioate
CID 253901
Diethyl 2-acetamido-2-(2,2,2-trifluoroethyl)malonate
CID 14132850
Diethyl 2-acetamido-2-(2,2-difluoroethyl)malonate
CID 17749984
Diethyl (acetylamino)(isobutyl)malonate
CID 5105007
1-O-ethyl 4-O-methyl (2S)-2-acetamido-2-methylbutanedioate
CID 14019434

Frequently Asked Questions

What is the IUPAC name of diethyl 2-acetamido-2-(2-methoxyethyl)propanedioate?
The IUPAC name of diethyl 2-acetamido-2-(2-methoxyethyl)propanedioate (CID 54051580) is diethyl 2-acetamido-2-(2-methoxyethyl)propanedioate.
What is the SMILES notation for diethyl 2-acetamido-2-(2-methoxyethyl)propanedioate?
The canonical SMILES for diethyl 2-acetamido-2-(2-methoxyethyl)propanedioate is CCOC(=O)C(CCOC)(NC(C)=O)C(=O)OCC.
What is the InChIKey of diethyl 2-acetamido-2-(2-methoxyethyl)propanedioate?
The InChIKey is LTGAZAVWXAXYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO6/c1-5-18-10(15)12(7-8-17-4,13-9(3)14)11(16)19-6-2/h5-8H2,1-4H3,(H,13,14).
What are the key properties of diethyl 2-acetamido-2-(2-methoxyethyl)propanedioate?
diethyl 2-acetamido-2-(2-methoxyethyl)propanedioate has a molecular weight of 275.30 g/mol, XLogP of 0.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-acetamido-2-(2-methoxyethyl)propanedioate is sourced from PubChem (CID 54051580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).