tert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate

C13H23NO3 — CID 163302209

IUPACtert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@]2(CCC(O)C2)C1
InChIInChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-7-6-13(9-14)5-4-10(15)8-13/h10,15H,4-9H2,1-3H3/t10?,13-/m1/s1
InChIKeyMUMPVHCQFGQIKY-JLOHTSLTSA-N
MW241.33 g/mol
LogP2.16
Rot. Bonds

About tert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate

tert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate (PubChem CID 163302209) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
PubChem CID163302209
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@]2(CCC(O)C2)C1
InChIInChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-7-6-13(9-14)5-4-10(15)8-13/h10,15H,4-9H2,1-3H3/t10?,13-/m1/s1
InChIKeyMUMPVHCQFGQIKY-JLOHTSLTSA-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

Analyze tert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate with MolForge

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Related Compounds

tert-butyl (5R,7S,8R)-8-hydroxy-7-methyl-2-azaspiro[4.5]decane-2-carboxylate
CID 163396496
tert-butyl 8-carbamoyl-2-azaspiro[4.4]nonane-2-carboxylate
CID 167430090
tert-butyl 8-cyano-2-azaspiro[4.4]nonane-2-carboxylate
CID 127263616
tert-butyl 8-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 71630735
tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate
CID 144719040
tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate
CID 56962195
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-2-carboxylate
CID 134129306
tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 90426746
tert-butyl 7-(aminomethyl)-2-azaspiro[4.5]decane-2-carboxylate
CID 82379496
tert-butyl 7,9-dimethyl-8-oxo-2-azaspiro[4.5]decane-2-carboxylate
CID 134201957
tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 118994126
tert-butyl (6R,7R)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate
CID 170617037

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate?
The IUPAC name of tert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate (CID 163302209) is tert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate?
The canonical SMILES for tert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate is CC(C)(C)OC(=O)N1CC[C@@]2(CCC(O)C2)C1.
What is the InChIKey of tert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate?
The InChIKey is MUMPVHCQFGQIKY-JLOHTSLTSA-N. The full InChI is InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-7-6-13(9-14)5-4-10(15)8-13/h10,15H,4-9H2,1-3H3/t10?,13-/m1/s1.
What are the key properties of tert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate?
tert-butyl (5R)-8-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 (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate is sourced from PubChem (CID 163302209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).