tert-butyl (4R)-6-oxo-4-propan-2-yl-1,3-oxazinane-3-carboxylate

C12H21NO4 — CID 102085083

IUPACtert-butyl (4R)-6-oxo-4-propan-2-yl-1,3-oxazinane-3-carboxylate
SMILESCC(C)[C@H]1CC(=O)OCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO4/c1-8(2)9-6-10(14)16-7-13(9)11(15)17-12(3,4)5/h8-9H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyHDJASFBVSORKQG-SECBINFHSA-N
MW243.30 g/mol
LogP2.15
Rot. Bonds1

About tert-butyl (4R)-6-oxo-4-propan-2-yl-1,3-oxazinane-3-carboxylate

tert-butyl (4R)-6-oxo-4-propan-2-yl-1,3-oxazinane-3-carboxylate (PubChem CID 102085083) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is tert-butyl (4R)-6-oxo-4-propan-2-yl-1,3-oxazinane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-6-oxo-4-propan-2-yl-1,3-oxazinane-3-carboxylate
PubChem CID102085083
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nametert-butyl (4R)-6-oxo-4-propan-2-yl-1,3-oxazinane-3-carboxylate
SMILESCC(C)[C@H]1CC(=O)OCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO4/c1-8(2)9-6-10(14)16-7-13(9)11(15)17-12(3,4)5/h8-9H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyHDJASFBVSORKQG-SECBINFHSA-N
XLogP2.15
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl 3-oxo-2-propan-2-ylpyrrolidine-1-carboxylate
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CID 142751695
4-O-benzyl 3-O-tert-butyl (4S)-6-oxo-1,3-oxazinane-3,4-dicarboxylate
CID 10568792
tert-butyl (2R)-2,4-di(propan-2-yl)piperazine-1-carboxylate
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tert-butyl (4S,5R)-5-hydroxy-5-[(4R,5R)-5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidin-5-yl]-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
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tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate
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tert-butyl 2-(2-hydroxypropyl)-3-oxopyrrolidine-1-carboxylate
CID 83488081
tert-butyl (2S)-2-(2-methylpropyl)-4-oxopyrrolidine-1-carboxylate
CID 24813169
tert-butyl (4aR,7aS)-6-oxo-2,3,4a,5,7,7a-hexahydrocyclopenta[b][1,4]oxazine-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-6-oxo-4-propan-2-yl-1,3-oxazinane-3-carboxylate?
The IUPAC name of tert-butyl (4R)-6-oxo-4-propan-2-yl-1,3-oxazinane-3-carboxylate (CID 102085083) is tert-butyl (4R)-6-oxo-4-propan-2-yl-1,3-oxazinane-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-6-oxo-4-propan-2-yl-1,3-oxazinane-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-6-oxo-4-propan-2-yl-1,3-oxazinane-3-carboxylate is CC(C)[C@H]1CC(=O)OCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-6-oxo-4-propan-2-yl-1,3-oxazinane-3-carboxylate?
The InChIKey is HDJASFBVSORKQG-SECBINFHSA-N. The full InChI is InChI=1S/C12H21NO4/c1-8(2)9-6-10(14)16-7-13(9)11(15)17-12(3,4)5/h8-9H,6-7H2,1-5H3/t9-/m1/s1.
What are the key properties of tert-butyl (4R)-6-oxo-4-propan-2-yl-1,3-oxazinane-3-carboxylate?
tert-butyl (4R)-6-oxo-4-propan-2-yl-1,3-oxazinane-3-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-6-oxo-4-propan-2-yl-1,3-oxazinane-3-carboxylate is sourced from PubChem (CID 102085083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).