tert-butyl 2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine-6-carboxylate

C12H22N2O3 — CID 53395326

IUPACtert-butyl 2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2OCCNC2C1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-6-4-10-9(8-14)13-5-7-16-10/h9-10,13H,4-8H2,1-3H3
InChIKeyFHFUKPWBTBBQNW-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.98
Rot. Bonds

About tert-butyl 2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine-6-carboxylate

tert-butyl 2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine-6-carboxylate (PubChem CID 53395326) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl 2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine-6-carboxylate
PubChem CID53395326
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl 2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2OCCNC2C1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-6-4-10-9(8-14)13-5-7-16-10/h9-10,13H,4-8H2,1-3H3
InChIKeyFHFUKPWBTBBQNW-UHFFFAOYSA-N
XLogP0.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine-6-carboxylate?
The IUPAC name of tert-butyl 2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine-6-carboxylate (CID 53395326) is tert-butyl 2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine-6-carboxylate.
What is the SMILES notation for tert-butyl 2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine-6-carboxylate?
The canonical SMILES for tert-butyl 2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine-6-carboxylate is CC(C)(C)OC(=O)N1CCC2OCCNC2C1.
What is the InChIKey of tert-butyl 2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine-6-carboxylate?
The InChIKey is FHFUKPWBTBBQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-6-4-10-9(8-14)13-5-7-16-10/h9-10,13H,4-8H2,1-3H3.
What are the key properties of tert-butyl 2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine-6-carboxylate?
tert-butyl 2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine-6-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine-6-carboxylate is sourced from PubChem (CID 53395326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).