tert-butyl (2R)-2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate

C11H19NO3 — CID 129408071

IUPACtert-butyl (2R)-2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(C[C@H]2CO)C1
InChIInChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-6-11(7-12)4-8(11)5-13/h8,13H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyZXSCXCSUDLDROE-QMMMGPOBSA-N
MW213.28 g/mol
LogP1.24
Rot. Bonds1

About tert-butyl (2R)-2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate

tert-butyl (2R)-2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate (PubChem CID 129408071) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl (2R)-2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate
PubChem CID129408071
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl (2R)-2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(C[C@H]2CO)C1
InChIInChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-6-11(7-12)4-8(11)5-13/h8,13H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyZXSCXCSUDLDROE-QMMMGPOBSA-N
XLogP1.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-amino-5-azaspiro[2.3]hexane-5-carboxylate
CID 83831540
tert-butyl (5R)-5-amino-7,7-difluoro-2-azaspiro[3.4]octane-2-carboxylate
CID 170898194
tert-butyl 2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-5-(hydroxymethyl)-2,7-diazaspiro[3.4]octane-7-carboxylate
CID 170756961
tert-butyl 3-[5-(hydroxymethyl)-2-oxa-7-azaspiro[3.4]octane-7-carbonyl]-3-methylazetidine-1-carboxylate
CID 155957502
tert-butyl (5R)-7-benzyl-5-(hydroxymethyl)-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 155903866
tert-butyl 2-(bromomethyl)-6-azaspiro[2.5]octane-6-carboxylate
CID 121207544
tert-butyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 86332345
tert-butyl 2-(3-oxobutyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 84711913
tert-butyl 4-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-2-carboxylate
CID 82379353
tert-butyl 5-amino-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate
CID 71305964
tert-butyl 7-(hydroxymethyl)-5-methyl-2,5-diazaspiro[3.4]octane-2-carboxylate
CID 131231295
tert-butyl 2-(2-aminopropyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 84708274

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate (CID 129408071) is tert-butyl (2R)-2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate is CC(C)(C)OC(=O)N1CC2(C[C@H]2CO)C1.
What is the InChIKey of tert-butyl (2R)-2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate?
The InChIKey is ZXSCXCSUDLDROE-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-6-11(7-12)4-8(11)5-13/h8,13H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of tert-butyl (2R)-2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate?
tert-butyl (2R)-2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate is sourced from PubChem (CID 129408071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).