tert-butyl 2-(2-oxo-1,3-oxazolidin-3-yl)butanoate

C11H19NO4 — CID 16724033

IUPACtert-butyl 2-(2-oxo-1,3-oxazolidin-3-yl)butanoate
SMILESCCC(C(=O)OC(C)(C)C)N1CCOC1=O
InChIInChI=1S/C11H19NO4/c1-5-8(9(13)16-11(2,3)4)12-6-7-15-10(12)14/h8H,5-7H2,1-4H3
InChIKeyWHNIWMJLVCVSHR-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.56
Rot. Bonds3

About tert-butyl 2-(2-oxo-1,3-oxazolidin-3-yl)butanoate

tert-butyl 2-(2-oxo-1,3-oxazolidin-3-yl)butanoate (PubChem CID 16724033) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is tert-butyl 2-(2-oxo-1,3-oxazolidin-3-yl)butanoate.

Molecular Properties

Compound Nametert-butyl 2-(2-oxo-1,3-oxazolidin-3-yl)butanoate
PubChem CID16724033
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nametert-butyl 2-(2-oxo-1,3-oxazolidin-3-yl)butanoate
SMILESCCC(C(=O)OC(C)(C)C)N1CCOC1=O
InChIInChI=1S/C11H19NO4/c1-5-8(9(13)16-11(2,3)4)12-6-7-15-10(12)14/h8H,5-7H2,1-4H3
InChIKeyWHNIWMJLVCVSHR-UHFFFAOYSA-N
XLogP1.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
The IUPAC name of tert-butyl 2-(2-oxo-1,3-oxazolidin-3-yl)butanoate (CID 16724033) is tert-butyl 2-(2-oxo-1,3-oxazolidin-3-yl)butanoate.
What is the SMILES notation for tert-butyl 2-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
The canonical SMILES for tert-butyl 2-(2-oxo-1,3-oxazolidin-3-yl)butanoate is CCC(C(=O)OC(C)(C)C)N1CCOC1=O.
What is the InChIKey of tert-butyl 2-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
The InChIKey is WHNIWMJLVCVSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-5-8(9(13)16-11(2,3)4)12-6-7-15-10(12)14/h8H,5-7H2,1-4H3.
What are the key properties of tert-butyl 2-(2-oxo-1,3-oxazolidin-3-yl)butanoate?
tert-butyl 2-(2-oxo-1,3-oxazolidin-3-yl)butanoate has a molecular weight of 229.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-oxo-1,3-oxazolidin-3-yl)butanoate is sourced from PubChem (CID 16724033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).