tert-butyl 5-acetyl-5-methyl-2-oxo-1,3-oxazinane-3-carboxylate

C12H19NO5 — CID 134249933

IUPACtert-butyl 5-acetyl-5-methyl-2-oxo-1,3-oxazinane-3-carboxylate
SMILESCC(=O)C1(C)COC(=O)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H19NO5/c1-8(14)12(5)6-13(9(15)17-7-12)10(16)18-11(2,3)4/h6-7H2,1-5H3
InChIKeyDLAZXFMITJYNCT-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.97
Rot. Bonds1

About tert-butyl 5-acetyl-5-methyl-2-oxo-1,3-oxazinane-3-carboxylate

tert-butyl 5-acetyl-5-methyl-2-oxo-1,3-oxazinane-3-carboxylate (PubChem CID 134249933) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is tert-butyl 5-acetyl-5-methyl-2-oxo-1,3-oxazinane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-acetyl-5-methyl-2-oxo-1,3-oxazinane-3-carboxylate
PubChem CID134249933
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Nametert-butyl 5-acetyl-5-methyl-2-oxo-1,3-oxazinane-3-carboxylate
SMILESCC(=O)C1(C)COC(=O)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H19NO5/c1-8(14)12(5)6-13(9(15)17-7-12)10(16)18-11(2,3)4/h6-7H2,1-5H3
InChIKeyDLAZXFMITJYNCT-UHFFFAOYSA-N
XLogP1.97
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-acetyl-5-methyl-2-oxo-1,3-oxazinane-3-carboxylate?
The IUPAC name of tert-butyl 5-acetyl-5-methyl-2-oxo-1,3-oxazinane-3-carboxylate (CID 134249933) is tert-butyl 5-acetyl-5-methyl-2-oxo-1,3-oxazinane-3-carboxylate.
What is the SMILES notation for tert-butyl 5-acetyl-5-methyl-2-oxo-1,3-oxazinane-3-carboxylate?
The canonical SMILES for tert-butyl 5-acetyl-5-methyl-2-oxo-1,3-oxazinane-3-carboxylate is CC(=O)C1(C)COC(=O)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 5-acetyl-5-methyl-2-oxo-1,3-oxazinane-3-carboxylate?
The InChIKey is DLAZXFMITJYNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-8(14)12(5)6-13(9(15)17-7-12)10(16)18-11(2,3)4/h6-7H2,1-5H3.
What are the key properties of tert-butyl 5-acetyl-5-methyl-2-oxo-1,3-oxazinane-3-carboxylate?
tert-butyl 5-acetyl-5-methyl-2-oxo-1,3-oxazinane-3-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-acetyl-5-methyl-2-oxo-1,3-oxazinane-3-carboxylate is sourced from PubChem (CID 134249933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).