tert-butyl 2,6-dioxo-1,3-oxazinane-3-carboxylate

C9H13NO5 — CID 15518143

IUPACtert-butyl 2,6-dioxo-1,3-oxazinane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)OC1=O
InChIInChI=1S/C9H13NO5/c1-9(2,3)15-8(13)10-5-4-6(11)14-7(10)12/h4-5H2,1-3H3
InChIKeyIWHJEFAQZNMEBL-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.29
Rot. Bonds

About tert-butyl 2,6-dioxo-1,3-oxazinane-3-carboxylate

tert-butyl 2,6-dioxo-1,3-oxazinane-3-carboxylate (PubChem CID 15518143) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is tert-butyl 2,6-dioxo-1,3-oxazinane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,6-dioxo-1,3-oxazinane-3-carboxylate
PubChem CID15518143
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Nametert-butyl 2,6-dioxo-1,3-oxazinane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)OC1=O
InChIInChI=1S/C9H13NO5/c1-9(2,3)15-8(13)10-5-4-6(11)14-7(10)12/h4-5H2,1-3H3
InChIKeyIWHJEFAQZNMEBL-UHFFFAOYSA-N
XLogP1.29
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.29
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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Related Compounds

Methyl 3-{[(tert-butoxy)carbonyl](methyl)amino}-2-methylpropanoate
CID 61598767
Tert-butyl 4-(3-fluorooxy-3-oxopropyl)piperazine-1-carboxylate
CID 144971805
Tert-butyl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate
CID 46785871
Methyl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 91480818
Methyl 3-((tert-butoxycarbonyl)(methyl)amino)propanoate
CID 10703983
Tert-butyl 4-methyl-2,6-dioxo-1,3-oxazinane-3-carboxylate
CID 10922292
Tert-butyl 5-methyl-2,6-dioxo-1,3-oxazinane-3-carboxylate
CID 11107131
3-[Bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 12007634
tert-butyl (4R)-4-methyl-2,6-dioxo-1,3-oxazinane-3-carboxylate
CID 15518146
Methyl 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 54350976
3-[Ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;yttrium
CID 60117623
Methyl 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate;yttrium
CID 60117625

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,6-dioxo-1,3-oxazinane-3-carboxylate?
The IUPAC name of tert-butyl 2,6-dioxo-1,3-oxazinane-3-carboxylate (CID 15518143) is tert-butyl 2,6-dioxo-1,3-oxazinane-3-carboxylate.
What is the SMILES notation for tert-butyl 2,6-dioxo-1,3-oxazinane-3-carboxylate?
The canonical SMILES for tert-butyl 2,6-dioxo-1,3-oxazinane-3-carboxylate is CC(C)(C)OC(=O)N1CCC(=O)OC1=O.
What is the InChIKey of tert-butyl 2,6-dioxo-1,3-oxazinane-3-carboxylate?
The InChIKey is IWHJEFAQZNMEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5/c1-9(2,3)15-8(13)10-5-4-6(11)14-7(10)12/h4-5H2,1-3H3.
What are the key properties of tert-butyl 2,6-dioxo-1,3-oxazinane-3-carboxylate?
tert-butyl 2,6-dioxo-1,3-oxazinane-3-carboxylate has a molecular weight of 215.20 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,6-dioxo-1,3-oxazinane-3-carboxylate is sourced from PubChem (CID 15518143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).