tert-butyl (9aR)-4-oxo-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylate

C12H20N2O4 — CID 58117095

IUPACtert-butyl (9aR)-4-oxo-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN2C(=O)COC[C@H]2C1
InChIInChI=1S/C12H20N2O4/c1-12(2,3)18-11(16)13-4-5-14-9(6-13)7-17-8-10(14)15/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyGUKNFXRSSGYLPU-SECBINFHSA-N
MW256.30 g/mol
LogP0.46
Rot. Bonds

About tert-butyl (9aR)-4-oxo-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylate

tert-butyl (9aR)-4-oxo-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylate (PubChem CID 58117095) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is tert-butyl (9aR)-4-oxo-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylate.

Molecular Properties

Compound Nametert-butyl (9aR)-4-oxo-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylate
PubChem CID58117095
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nametert-butyl (9aR)-4-oxo-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN2C(=O)COC[C@H]2C1
InChIInChI=1S/C12H20N2O4/c1-12(2,3)18-11(16)13-4-5-14-9(6-13)7-17-8-10(14)15/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyGUKNFXRSSGYLPU-SECBINFHSA-N
XLogP0.46
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (9aR)-4-oxo-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylate with MolForge

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Related Compounds

Hexahydro-pyrazino[2,1-c][1,4]oxazine-8-carboxylic acid tert-butyl ester
CID 112756686
Tert-butyl 4-oxo-octahydropiperazino[2,1-c]morpholine-8-carboxylate
CID 16123288
Tert-butyl 1-oxo-3,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate
CID 22989478
8-Boc-hexahydropyrazino[2,1-C][1,4]oxazin-3(4H)-one
CID 22989488
Tert-butyl 4-(4-methylmorpholin-3-ylmethyl)piperazinecarboxylate
CID 23079653
Tert-butyl 4-(3-oxo-4-morpholinyl)-1-piperidinecarboxylate
CID 23138144
3,3-Dimethyl-8-propan-2-yl-6,7,9,9a-tetrahydropyrazino[2,1-c][1,4]oxazine-1,4-dione
CID 57600787
8-methyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one
CID 57646519
(9aR)-8-methyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one
CID 58439173
8-propan-2-yl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one
CID 58529305
4,6-ditert-butyl-5,7,8,8a-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one
CID 59067693
Tert-butyl 3-[[acetyl(ethyl)amino]methyl]morpholine-4-carboxylate
CID 66723805

Frequently Asked Questions

What is the IUPAC name of tert-butyl (9aR)-4-oxo-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylate?
The IUPAC name of tert-butyl (9aR)-4-oxo-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylate (CID 58117095) is tert-butyl (9aR)-4-oxo-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylate.
What is the SMILES notation for tert-butyl (9aR)-4-oxo-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylate?
The canonical SMILES for tert-butyl (9aR)-4-oxo-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylate is CC(C)(C)OC(=O)N1CCN2C(=O)COC[C@H]2C1.
What is the InChIKey of tert-butyl (9aR)-4-oxo-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylate?
The InChIKey is GUKNFXRSSGYLPU-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-12(2,3)18-11(16)13-4-5-14-9(6-13)7-17-8-10(14)15/h9H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of tert-butyl (9aR)-4-oxo-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylate?
tert-butyl (9aR)-4-oxo-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylate has a molecular weight of 256.30 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (9aR)-4-oxo-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylate is sourced from PubChem (CID 58117095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).