tert-butyl (4R)-4-methyl-2,6-dioxo-1,3-oxazinane-3-carboxylate

C10H15NO5 — CID 15518146

IUPACtert-butyl (4R)-4-methyl-2,6-dioxo-1,3-oxazinane-3-carboxylate
SMILESC[C@@H]1CC(=O)OC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H15NO5/c1-6-5-7(12)15-8(13)11(6)9(14)16-10(2,3)4/h6H,5H2,1-4H3/t6-/m1/s1
InChIKeyJWGYMRBLFDQUPS-ZCFIWIBFSA-N
MW229.23 g/mol
LogP1.68
Rot. Bonds

About tert-butyl (4R)-4-methyl-2,6-dioxo-1,3-oxazinane-3-carboxylate

tert-butyl (4R)-4-methyl-2,6-dioxo-1,3-oxazinane-3-carboxylate (PubChem CID 15518146) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is tert-butyl (4R)-4-methyl-2,6-dioxo-1,3-oxazinane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-methyl-2,6-dioxo-1,3-oxazinane-3-carboxylate
PubChem CID15518146
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Nametert-butyl (4R)-4-methyl-2,6-dioxo-1,3-oxazinane-3-carboxylate
SMILESC[C@@H]1CC(=O)OC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H15NO5/c1-6-5-7(12)15-8(13)11(6)9(14)16-10(2,3)4/h6H,5H2,1-4H3/t6-/m1/s1
InChIKeyJWGYMRBLFDQUPS-ZCFIWIBFSA-N
XLogP1.68
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-methyl-2,6-dioxo-1,3-oxazinane-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-methyl-2,6-dioxo-1,3-oxazinane-3-carboxylate (CID 15518146) is tert-butyl (4R)-4-methyl-2,6-dioxo-1,3-oxazinane-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-methyl-2,6-dioxo-1,3-oxazinane-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-methyl-2,6-dioxo-1,3-oxazinane-3-carboxylate is C[C@@H]1CC(=O)OC(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-methyl-2,6-dioxo-1,3-oxazinane-3-carboxylate?
The InChIKey is JWGYMRBLFDQUPS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H15NO5/c1-6-5-7(12)15-8(13)11(6)9(14)16-10(2,3)4/h6H,5H2,1-4H3/t6-/m1/s1.
What are the key properties of tert-butyl (4R)-4-methyl-2,6-dioxo-1,3-oxazinane-3-carboxylate?
tert-butyl (4R)-4-methyl-2,6-dioxo-1,3-oxazinane-3-carboxylate has a molecular weight of 229.23 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-methyl-2,6-dioxo-1,3-oxazinane-3-carboxylate is sourced from PubChem (CID 15518146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).