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

C15H24N2O7 — CID 537228

IUPACdiethyl 2-acetamido-2-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]propanedioate
SMILESCCOC(=O)C(CCCN1CCOC1=O)(NC(C)=O)C(=O)OCC
InChIInChI=1S/C15H24N2O7/c1-4-22-12(19)15(16-11(3)18,13(20)23-5-2)7-6-8-17-9-10-24-14(17)21/h4-10H2,1-3H3,(H,16,18)
InChIKeyDNWWWAVJJMIKKB-UHFFFAOYSA-N
MW344.36 g/mol
LogP0.22
Rot. Bonds9

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

diethyl 2-acetamido-2-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]propanedioate (PubChem CID 537228) has the molecular formula C15H24N2O7 and a molecular weight of 344.36 g/mol. Its IUPAC name is diethyl 2-acetamido-2-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-acetamido-2-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]propanedioate
PubChem CID537228
Molecular FormulaC15H24N2O7
Molecular Weight344.36 g/mol
Exact Mass344.16
IUPAC Namediethyl 2-acetamido-2-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]propanedioate
SMILESCCOC(=O)C(CCCN1CCOC1=O)(NC(C)=O)C(=O)OCC
InChIInChI=1S/C15H24N2O7/c1-4-22-12(19)15(16-11(3)18,13(20)23-5-2)7-6-8-17-9-10-24-14(17)21/h4-10H2,1-3H3,(H,16,18)
InChIKeyDNWWWAVJJMIKKB-UHFFFAOYSA-N
XLogP0.22
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', '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-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]propanedioate?
The IUPAC name of diethyl 2-acetamido-2-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]propanedioate (CID 537228) is diethyl 2-acetamido-2-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]propanedioate.
What is the SMILES notation for diethyl 2-acetamido-2-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]propanedioate?
The canonical SMILES for diethyl 2-acetamido-2-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]propanedioate is CCOC(=O)C(CCCN1CCOC1=O)(NC(C)=O)C(=O)OCC.
What is the InChIKey of diethyl 2-acetamido-2-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]propanedioate?
The InChIKey is DNWWWAVJJMIKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O7/c1-4-22-12(19)15(16-11(3)18,13(20)23-5-2)7-6-8-17-9-10-24-14(17)21/h4-10H2,1-3H3,(H,16,18).
What are the key properties of diethyl 2-acetamido-2-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]propanedioate?
diethyl 2-acetamido-2-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]propanedioate has a molecular weight of 344.36 g/mol, XLogP of 0.22, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-acetamido-2-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]propanedioate is sourced from PubChem (CID 537228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).