diethyl 2-acetamido-2-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]propanedioate

C16H26N2O7 — CID 537221

IUPACdiethyl 2-acetamido-2-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]propanedioate
SMILESCCOC(=O)C(CCCCN1CCOC1=O)(NC(C)=O)C(=O)OCC
InChIInChI=1S/C16H26N2O7/c1-4-23-13(20)16(17-12(3)19,14(21)24-5-2)8-6-7-9-18-10-11-25-15(18)22/h4-11H2,1-3H3,(H,17,19)
InChIKeyVUIRTWBHRGHKNG-UHFFFAOYSA-N
MW358.39 g/mol
LogP0.61
Rot. Bonds10

About diethyl 2-acetamido-2-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]propanedioate

diethyl 2-acetamido-2-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]propanedioate (PubChem CID 537221) has the molecular formula C16H26N2O7 and a molecular weight of 358.39 g/mol. Its IUPAC name is diethyl 2-acetamido-2-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-acetamido-2-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]propanedioate
PubChem CID537221
Molecular FormulaC16H26N2O7
Molecular Weight358.39 g/mol
Exact Mass358.17
IUPAC Namediethyl 2-acetamido-2-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]propanedioate
SMILESCCOC(=O)C(CCCCN1CCOC1=O)(NC(C)=O)C(=O)OCC
InChIInChI=1S/C16H26N2O7/c1-4-23-13(20)16(17-12(3)19,14(21)24-5-2)8-6-7-9-18-10-11-25-15(18)22/h4-11H2,1-3H3,(H,17,19)
InChIKeyVUIRTWBHRGHKNG-UHFFFAOYSA-N
XLogP0.61
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-acetamido-2-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]propanedioate?
The IUPAC name of diethyl 2-acetamido-2-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]propanedioate (CID 537221) is diethyl 2-acetamido-2-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]propanedioate.
What is the SMILES notation for diethyl 2-acetamido-2-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]propanedioate?
The canonical SMILES for diethyl 2-acetamido-2-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]propanedioate is CCOC(=O)C(CCCCN1CCOC1=O)(NC(C)=O)C(=O)OCC.
What is the InChIKey of diethyl 2-acetamido-2-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]propanedioate?
The InChIKey is VUIRTWBHRGHKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O7/c1-4-23-13(20)16(17-12(3)19,14(21)24-5-2)8-6-7-9-18-10-11-25-15(18)22/h4-11H2,1-3H3,(H,17,19).
What are the key properties of diethyl 2-acetamido-2-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]propanedioate?
diethyl 2-acetamido-2-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]propanedioate has a molecular weight of 358.39 g/mol, XLogP of 0.61, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-acetamido-2-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]propanedioate is sourced from PubChem (CID 537221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).