tert-butyl 7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate

C13H23NO5 — CID 73191192

IUPACtert-butyl 7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)C2OC(C)(C)OC2C1
InChIInChI=1S/C13H23NO5/c1-12(2,3)19-11(16)14-6-8(15)10-9(7-14)17-13(4,5)18-10/h8-10,15H,6-7H2,1-5H3
InChIKeyRPFDMDWEBWOMNO-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.12
Rot. Bonds

About tert-butyl 7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate

tert-butyl 7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate (PubChem CID 73191192) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is tert-butyl 7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate
PubChem CID73191192
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Nametert-butyl 7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)C2OC(C)(C)OC2C1
InChIInChI=1S/C13H23NO5/c1-12(2,3)19-11(16)14-6-8(15)10-9(7-14)17-13(4,5)18-10/h8-10,15H,6-7H2,1-5H3
InChIKeyRPFDMDWEBWOMNO-UHFFFAOYSA-N
XLogP1.12
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate with MolForge

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Related Compounds

Tert-butyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate
CID 11425480
tert-butyl (2S)-2-((1S)-1,2-dihydroxyethyl)morpholine-4-carboxylate
CID 132343928
Glycosidase-IN-1
CID 15293848
tert-butyl (3aR,4S,7S,7aR)-7-hydroxy-4-(hydroxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate
CID 42598100
t-Butyl (3ar,7as)-3a-hydroxyhexahydrofuro[2,3-c]pyridine-6(2h)-carboxylate
CID 129756300
tert-butyl (3aR,7S,7aR)-7-fluoro-7-(hydroxymethyl)-2,2-dimethyl-3a,4,6,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate
CID 132555046
tert-Butyl cis-4-hydroxy-3-methoxypiperidine-1-carboxylate
CID 21307630
Ethyl 6-(hydroxymethyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate
CID 57057090
Tert-butyl 4-hydroxy-3-methoxypiperidine-1-carboxylate
CID 57063260
tert-butyl (2R)-2-[(1S)-1-hydroxypropyl]morpholine-4-carboxylate
CID 58573155
tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]morpholine-4-carboxylate
CID 58573419
tert-butyl (2S)-2-[(1S)-1-hydroxypropyl]morpholine-4-carboxylate
CID 58573460

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate (CID 73191192) is tert-butyl 7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate is CC(C)(C)OC(=O)N1CC(O)C2OC(C)(C)OC2C1.
What is the InChIKey of tert-butyl 7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate?
The InChIKey is RPFDMDWEBWOMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-12(2,3)19-11(16)14-6-8(15)10-9(7-14)17-13(4,5)18-10/h8-10,15H,6-7H2,1-5H3.
What are the key properties of tert-butyl 7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate?
tert-butyl 7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 73191192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).