tert-butyl (5S)-5-(hydroxymethyl)-4-azaspiro[2.5]octane-4-carboxylate

C13H23NO3 — CID 162341768

IUPACtert-butyl (5S)-5-(hydroxymethyl)-4-azaspiro[2.5]octane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](CO)CCCC12CC2
InChIInChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-10(9-15)5-4-6-13(14)7-8-13/h10,15H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyFCVZHPUNCHMJCI-JTQLQIEISA-N
MW241.33 g/mol
LogP2.30
Rot. Bonds1

About tert-butyl (5S)-5-(hydroxymethyl)-4-azaspiro[2.5]octane-4-carboxylate

tert-butyl (5S)-5-(hydroxymethyl)-4-azaspiro[2.5]octane-4-carboxylate (PubChem CID 162341768) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl (5S)-5-(hydroxymethyl)-4-azaspiro[2.5]octane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S)-5-(hydroxymethyl)-4-azaspiro[2.5]octane-4-carboxylate
PubChem CID162341768
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl (5S)-5-(hydroxymethyl)-4-azaspiro[2.5]octane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](CO)CCCC12CC2
InChIInChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-10(9-15)5-4-6-13(14)7-8-13/h10,15H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyFCVZHPUNCHMJCI-JTQLQIEISA-N
XLogP2.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-(hydroxymethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 70949192
tert-butyl 6-(aminomethyl)-5-azaspiro[3.4]octane-5-carboxylate
CID 155820435
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-6-carboxylic acid
CID 146082478
tert-butyl (2S)-2-(hydroxymethyl)azocane-1-carboxylate
CID 130839341
tert-butyl 1-(1-hydroxy-2-methylpropan-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 67328727
tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate
CID 11074142
2-(hydroxymethyl)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 90318891
tert-butyl 2-(2,2-difluorocyclopropanecarbonyl)-7-(hydroxymethyl)-2,6-diazaspiro[3.6]decane-6-carboxylate
CID 171756030
tert-butyl 7-(hydroxymethyl)-1,4-diazepane-1-carboxylate
CID 178201698
tert-butyl 5-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 71112214
tert-butyl 9,9-difluoro-1-(hydroxymethyl)-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 71305596
tert-butyl (6R)-6-[[butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylpiperidine-1-carboxylate
CID 163406222

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S)-5-(hydroxymethyl)-4-azaspiro[2.5]octane-4-carboxylate?
The IUPAC name of tert-butyl (5S)-5-(hydroxymethyl)-4-azaspiro[2.5]octane-4-carboxylate (CID 162341768) is tert-butyl (5S)-5-(hydroxymethyl)-4-azaspiro[2.5]octane-4-carboxylate.
What is the SMILES notation for tert-butyl (5S)-5-(hydroxymethyl)-4-azaspiro[2.5]octane-4-carboxylate?
The canonical SMILES for tert-butyl (5S)-5-(hydroxymethyl)-4-azaspiro[2.5]octane-4-carboxylate is CC(C)(C)OC(=O)N1[C@H](CO)CCCC12CC2.
What is the InChIKey of tert-butyl (5S)-5-(hydroxymethyl)-4-azaspiro[2.5]octane-4-carboxylate?
The InChIKey is FCVZHPUNCHMJCI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-10(9-15)5-4-6-13(14)7-8-13/h10,15H,4-9H2,1-3H3/t10-/m0/s1.
What are the key properties of tert-butyl (5S)-5-(hydroxymethyl)-4-azaspiro[2.5]octane-4-carboxylate?
tert-butyl (5S)-5-(hydroxymethyl)-4-azaspiro[2.5]octane-4-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S)-5-(hydroxymethyl)-4-azaspiro[2.5]octane-4-carboxylate is sourced from PubChem (CID 162341768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).