tert-butyl (3R,5R)-3-(hydroxymethyl)-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxylate

C13H23NO5 — CID 100911271

IUPACtert-butyl (3R,5R)-3-(hydroxymethyl)-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@@]2(CO[C@@H](CO)C2)C1
InChIInChI=1S/C13H23NO5/c1-12(2,3)19-11(16)14-4-5-18-13(8-14)6-10(7-15)17-9-13/h10,15H,4-9H2,1-3H3/t10-,13-/m1/s1
InChIKeyLMLYWRSPKRNFLK-ZWNOBZJWSA-N
MW273.33 g/mol
LogP0.77
Rot. Bonds1

About tert-butyl (3R,5R)-3-(hydroxymethyl)-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxylate

tert-butyl (3R,5R)-3-(hydroxymethyl)-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxylate (PubChem CID 100911271) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is tert-butyl (3R,5R)-3-(hydroxymethyl)-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,5R)-3-(hydroxymethyl)-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxylate
PubChem CID100911271
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Nametert-butyl (3R,5R)-3-(hydroxymethyl)-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@@]2(CO[C@@H](CO)C2)C1
InChIInChI=1S/C13H23NO5/c1-12(2,3)19-11(16)14-4-5-18-13(8-14)6-10(7-15)17-9-13/h10,15H,4-9H2,1-3H3/t10-,13-/m1/s1
InChIKeyLMLYWRSPKRNFLK-ZWNOBZJWSA-N
XLogP0.77
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (3R,5R)-3-(hydroxymethyl)-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxylate with MolForge

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Related Compounds

tert-butyl (2R)-2-(hydroxymethyl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxylate
CID 94863807
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
tert-butyl 2-tert-butyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 170651649
tert-butyl 6,6-difluoro-2-(hydroxymethyl)-1,4-oxazepane-4-carboxylate
CID 175205474
tert-butyl 9-oxo-1-oxa-4-azaspiro[5.5]undecane-4-carboxylate
CID 71305766
tert-butyl (6S)-6-hydroxy-6-methyl-1,4-oxazepane-4-carboxylate
CID 125117343
tert-butyl 2-(2-ethoxy-2-oxoethyl)-2-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate
CID 177330033
tert-butyl 6-(hydroxymethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 71762894
tert-butyl 6-(2-hydroxypropan-2-yl)-6-methyl-1,4-oxazepane-4-carboxylate
CID 157175899
(8S)-6-[(2-methylpropan-2-yl)oxycarbonyl]-1,9-dioxa-6-azaspiro[3.6]decane-8-carboxylic acid
CID 171841249
tert-butyl 2-(5-methoxypyrimidine-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxylate
CID 131684259
4-O-tert-butyl 2-O-ethyl 2-methylmorpholine-2,4-dicarboxylate
CID 131997082

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,5R)-3-(hydroxymethyl)-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxylate?
The IUPAC name of tert-butyl (3R,5R)-3-(hydroxymethyl)-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxylate (CID 100911271) is tert-butyl (3R,5R)-3-(hydroxymethyl)-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for tert-butyl (3R,5R)-3-(hydroxymethyl)-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for tert-butyl (3R,5R)-3-(hydroxymethyl)-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxylate is CC(C)(C)OC(=O)N1CCO[C@@]2(CO[C@@H](CO)C2)C1.
What is the InChIKey of tert-butyl (3R,5R)-3-(hydroxymethyl)-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxylate?
The InChIKey is LMLYWRSPKRNFLK-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H23NO5/c1-12(2,3)19-11(16)14-4-5-18-13(8-14)6-10(7-15)17-9-13/h10,15H,4-9H2,1-3H3/t10-,13-/m1/s1.
What are the key properties of tert-butyl (3R,5R)-3-(hydroxymethyl)-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxylate?
tert-butyl (3R,5R)-3-(hydroxymethyl)-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5R)-3-(hydroxymethyl)-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 100911271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).