tert-butyl (3R)-3-hydroxy-8-azabicyclo[4.3.1]decane-8-carboxylate

C14H25NO3 — CID 146663971

IUPACtert-butyl (3R)-3-hydroxy-8-azabicyclo[4.3.1]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CC[C@@H](O)CC(C2)C1
InChIInChI=1S/C14H25NO3/c1-14(2,3)18-13(17)15-8-10-4-5-12(16)7-11(6-10)9-15/h10-12,16H,4-9H2,1-3H3/t10?,11?,12-/m1/s1
InChIKeyGRCIJDOYXQGJRG-HTAVTVPLSA-N
MW255.36 g/mol
LogP2.40
Rot. Bonds

About tert-butyl (3R)-3-hydroxy-8-azabicyclo[4.3.1]decane-8-carboxylate

tert-butyl (3R)-3-hydroxy-8-azabicyclo[4.3.1]decane-8-carboxylate (PubChem CID 146663971) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl (3R)-3-hydroxy-8-azabicyclo[4.3.1]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-hydroxy-8-azabicyclo[4.3.1]decane-8-carboxylate
PubChem CID146663971
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl (3R)-3-hydroxy-8-azabicyclo[4.3.1]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CC[C@@H](O)CC(C2)C1
InChIInChI=1S/C14H25NO3/c1-14(2,3)18-13(17)15-8-10-4-5-12(16)7-11(6-10)9-15/h10-12,16H,4-9H2,1-3H3/t10?,11?,12-/m1/s1
InChIKeyGRCIJDOYXQGJRG-HTAVTVPLSA-N
XLogP2.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-oxa-8-azabicyclo[4.3.1]decane-8-carboxylate
CID 91576218
3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.3.1]nonane-7-carboxylate
CID 74420433
tert-butyl (1R,5R)-7-(hydroxymethyl)-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 170075586
tert-butyl (1S,5S)-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 98053658
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl 5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 22594656
tert-butyl (3aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 69032277
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate;ethane
CID 164877477
tert-butyl 5-azatricyclo[5.2.1.03,9]decane-5-carboxylate
CID 155401752
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl 8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 58338096

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-hydroxy-8-azabicyclo[4.3.1]decane-8-carboxylate?
The IUPAC name of tert-butyl (3R)-3-hydroxy-8-azabicyclo[4.3.1]decane-8-carboxylate (CID 146663971) is tert-butyl (3R)-3-hydroxy-8-azabicyclo[4.3.1]decane-8-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-hydroxy-8-azabicyclo[4.3.1]decane-8-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-hydroxy-8-azabicyclo[4.3.1]decane-8-carboxylate is CC(C)(C)OC(=O)N1CC2CC[C@@H](O)CC(C2)C1.
What is the InChIKey of tert-butyl (3R)-3-hydroxy-8-azabicyclo[4.3.1]decane-8-carboxylate?
The InChIKey is GRCIJDOYXQGJRG-HTAVTVPLSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(2,3)18-13(17)15-8-10-4-5-12(16)7-11(6-10)9-15/h10-12,16H,4-9H2,1-3H3/t10?,11?,12-/m1/s1.
What are the key properties of tert-butyl (3R)-3-hydroxy-8-azabicyclo[4.3.1]decane-8-carboxylate?
tert-butyl (3R)-3-hydroxy-8-azabicyclo[4.3.1]decane-8-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-hydroxy-8-azabicyclo[4.3.1]decane-8-carboxylate is sourced from PubChem (CID 146663971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).