tert-butyl (4aR,8R,8aR)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydro-[1,3]dioxino[5,4-b]pyridine-5-carboxylate

C14H25NO5 — CID 130989031

IUPACtert-butyl (4aR,8R,8aR)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydro-[1,3]dioxino[5,4-b]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H]2OC(C)(C)OC[C@H]21
InChIInChI=1S/C14H25NO5/c1-13(2,3)20-12(17)15-7-6-10(16)11-9(15)8-18-14(4,5)19-11/h9-11,16H,6-8H2,1-5H3/t9-,10-,11-/m1/s1
InChIKeyIGQBZABSCORRLX-GMTAPVOTSA-N
MW287.36 g/mol
LogP1.51
Rot. Bonds

About tert-butyl (4aR,8R,8aR)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydro-[1,3]dioxino[5,4-b]pyridine-5-carboxylate

tert-butyl (4aR,8R,8aR)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydro-[1,3]dioxino[5,4-b]pyridine-5-carboxylate (PubChem CID 130989031) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is tert-butyl (4aR,8R,8aR)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydro-[1,3]dioxino[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl (4aR,8R,8aR)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydro-[1,3]dioxino[5,4-b]pyridine-5-carboxylate
PubChem CID130989031
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Nametert-butyl (4aR,8R,8aR)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydro-[1,3]dioxino[5,4-b]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H]2OC(C)(C)OC[C@H]21
InChIInChI=1S/C14H25NO5/c1-13(2,3)20-12(17)15-7-6-10(16)11-9(15)8-18-14(4,5)19-11/h9-11,16H,6-8H2,1-5H3/t9-,10-,11-/m1/s1
InChIKeyIGQBZABSCORRLX-GMTAPVOTSA-N
XLogP1.51
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (4aR,8R,8aR)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydro-[1,3]dioxino[5,4-b]pyridine-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4aR,8R,8aR)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydro-[1,3]dioxino[5,4-b]pyridine-5-carboxylate?
The IUPAC name of tert-butyl (4aR,8R,8aR)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydro-[1,3]dioxino[5,4-b]pyridine-5-carboxylate (CID 130989031) is tert-butyl (4aR,8R,8aR)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydro-[1,3]dioxino[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl (4aR,8R,8aR)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydro-[1,3]dioxino[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl (4aR,8R,8aR)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydro-[1,3]dioxino[5,4-b]pyridine-5-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H]2OC(C)(C)OC[C@H]21.
What is the InChIKey of tert-butyl (4aR,8R,8aR)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydro-[1,3]dioxino[5,4-b]pyridine-5-carboxylate?
The InChIKey is IGQBZABSCORRLX-GMTAPVOTSA-N. The full InChI is InChI=1S/C14H25NO5/c1-13(2,3)20-12(17)15-7-6-10(16)11-9(15)8-18-14(4,5)19-11/h9-11,16H,6-8H2,1-5H3/t9-,10-,11-/m1/s1.
What are the key properties of tert-butyl (4aR,8R,8aR)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydro-[1,3]dioxino[5,4-b]pyridine-5-carboxylate?
tert-butyl (4aR,8R,8aR)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydro-[1,3]dioxino[5,4-b]pyridine-5-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4aR,8R,8aR)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydro-[1,3]dioxino[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 130989031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).