tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate

C13H23NO3 — CID 124555987

IUPACtert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@H]2O)C1
InChIInChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-8-7-13(9-14)6-4-5-10(13)15/h10,15H,4-9H2,1-3H3/t10-,13-/m0/s1
InChIKeyNFMDPIFBYYEDDH-GWCFXTLKSA-N
MW241.33 g/mol
LogP2.16
Rot. Bonds

About tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate

tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate (PubChem CID 124555987) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
PubChem CID124555987
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@H]2O)C1
InChIInChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-8-7-13(9-14)6-4-5-10(13)15/h10,15H,4-9H2,1-3H3/t10-,13-/m0/s1
InChIKeyNFMDPIFBYYEDDH-GWCFXTLKSA-N
XLogP2.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 6-hydroxy-2-azaspiro[4.5]decane-2-carboxylate
CID 135395733
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-3-carboxylic acid
CID 129317695
tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate
CID 97294860
tert-butyl 4-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 83488546
tert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate
CID 82667309
tert-butyl 10-hydroxy-2,6-diazaspiro[4.5]decane-2-carboxylate;hydrochloride
CID 115053003
tert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate
CID 82380603
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 3,4-dihydroxy-3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate
CID 171843084
tert-butyl 8-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 71630735
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 (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate?
The IUPAC name of tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate (CID 124555987) is tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate?
The canonical SMILES for tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate is CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@H]2O)C1.
What is the InChIKey of tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate?
The InChIKey is NFMDPIFBYYEDDH-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-8-7-13(9-14)6-4-5-10(13)15/h10,15H,4-9H2,1-3H3/t10-,13-/m0/s1.
What are the key properties of tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate?
tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate is sourced from PubChem (CID 124555987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).