tert-butyl (6R,7R)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate

C14H25NO3 — CID 170617037

IUPACtert-butyl (6R,7R)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate
SMILESC[C@@H]1CC2(CC[C@H]1O)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C14H25NO3/c1-10-7-14(6-5-11(10)16)8-15(9-14)12(17)18-13(2,3)4/h10-11,16H,5-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyKYMNECVSQAOEED-GHMZBOCLSA-N
MW255.36 g/mol
LogP2.40
Rot. Bonds

About tert-butyl (6R,7R)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate

tert-butyl (6R,7R)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate (PubChem CID 170617037) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl (6R,7R)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (6R,7R)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate
PubChem CID170617037
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl (6R,7R)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate
SMILESC[C@@H]1CC2(CC[C@H]1O)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C14H25NO3/c1-10-7-14(6-5-11(10)16)8-15(9-14)12(17)18-13(2,3)4/h10-11,16H,5-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyKYMNECVSQAOEED-GHMZBOCLSA-N
XLogP2.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (7S)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate
CID 167108536
tert-butyl (5R,7S,8R)-8-hydroxy-7-methyl-2-azaspiro[4.5]decane-2-carboxylate
CID 163396496
tert-butyl 7-methoxy-2-azaspiro[3.5]nonane-2-carboxylate
CID 144515725
tert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 163302209
tert-butyl 7-(bromomethyl)-2-azaspiro[3.5]nonane-2-carboxylate
CID 163218590
tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-azaspiro[3.4]octane-2-carboxylate
CID 155894112
tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate
CID 144719040
CID 176582761
CID 176582761
tert-butyl (9S,10R)-9,10-dihydroxy-7-azaspiro[4.6]undecane-7-carboxylate
CID 178194398
tert-butyl 6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octane-2-carboxylate
CID 156864561
tert-butyl 7-(4-methoxycyclohexyl)-2-azaspiro[3.5]nonane-2-carboxylate
CID 176982512
tert-butyl (4S,5R)-4-hydroxy-5-methylazepane-1-carboxylate
CID 124523390

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6R,7R)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of tert-butyl (6R,7R)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate (CID 170617037) is tert-butyl (6R,7R)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl (6R,7R)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for tert-butyl (6R,7R)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate is C[C@@H]1CC2(CC[C@H]1O)CN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl (6R,7R)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate?
The InChIKey is KYMNECVSQAOEED-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10-7-14(6-5-11(10)16)8-15(9-14)12(17)18-13(2,3)4/h10-11,16H,5-9H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of tert-butyl (6R,7R)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate?
tert-butyl (6R,7R)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6R,7R)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 170617037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).