tert-butyl (9S,10R)-9,10-dihydroxy-7-azaspiro[4.6]undecane-7-carboxylate

C15H27NO4 — CID 178194398

IUPACtert-butyl (9S,10R)-9,10-dihydroxy-7-azaspiro[4.6]undecane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)CC2(CCCC2)C1
InChIInChI=1S/C15H27NO4/c1-14(2,3)20-13(19)16-9-12(18)11(17)8-15(10-16)6-4-5-7-15/h11-12,17-18H,4-10H2,1-3H3/t11-,12+/m1/s1
InChIKeyQGONRDMIHOPTJN-NEPJUHHUSA-N
MW285.38 g/mol
LogP1.91
Rot. Bonds

About tert-butyl (9S,10R)-9,10-dihydroxy-7-azaspiro[4.6]undecane-7-carboxylate

tert-butyl (9S,10R)-9,10-dihydroxy-7-azaspiro[4.6]undecane-7-carboxylate (PubChem CID 178194398) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is tert-butyl (9S,10R)-9,10-dihydroxy-7-azaspiro[4.6]undecane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl (9S,10R)-9,10-dihydroxy-7-azaspiro[4.6]undecane-7-carboxylate
PubChem CID178194398
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nametert-butyl (9S,10R)-9,10-dihydroxy-7-azaspiro[4.6]undecane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)CC2(CCCC2)C1
InChIInChI=1S/C15H27NO4/c1-14(2,3)20-13(19)16-9-12(18)11(17)8-15(10-16)6-4-5-7-15/h11-12,17-18H,4-10H2,1-3H3/t11-,12+/m1/s1
InChIKeyQGONRDMIHOPTJN-NEPJUHHUSA-N
XLogP1.91
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl (6R,7R)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate
CID 170617037
tert-butyl (7S)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate
CID 167108536
ditert-butyl (7R,8S)-7,8-dihydroxy-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate
CID 178194780
tert-butyl (5R,7S,8R)-8-hydroxy-7-methyl-2-azaspiro[4.5]decane-2-carboxylate
CID 163396496
tert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 163302209
tert-butyl (3R,4R,5R,6S)-3,4,5,6-tetrahydroxyazepane-1-carboxylate
CID 139845782
tert-butyl 4-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 82380941
tert-butyl 3-methoxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 168931594
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylate
CID 91927722
tert-butyl (4S)-4-hydroxy-3,3-dimethylpyrrolidine-1-carboxylate
CID 118369273
tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate
CID 144719040

Frequently Asked Questions

What is the IUPAC name of tert-butyl (9S,10R)-9,10-dihydroxy-7-azaspiro[4.6]undecane-7-carboxylate?
The IUPAC name of tert-butyl (9S,10R)-9,10-dihydroxy-7-azaspiro[4.6]undecane-7-carboxylate (CID 178194398) is tert-butyl (9S,10R)-9,10-dihydroxy-7-azaspiro[4.6]undecane-7-carboxylate.
What is the SMILES notation for tert-butyl (9S,10R)-9,10-dihydroxy-7-azaspiro[4.6]undecane-7-carboxylate?
The canonical SMILES for tert-butyl (9S,10R)-9,10-dihydroxy-7-azaspiro[4.6]undecane-7-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)CC2(CCCC2)C1.
What is the InChIKey of tert-butyl (9S,10R)-9,10-dihydroxy-7-azaspiro[4.6]undecane-7-carboxylate?
The InChIKey is QGONRDMIHOPTJN-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H27NO4/c1-14(2,3)20-13(19)16-9-12(18)11(17)8-15(10-16)6-4-5-7-15/h11-12,17-18H,4-10H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of tert-butyl (9S,10R)-9,10-dihydroxy-7-azaspiro[4.6]undecane-7-carboxylate?
tert-butyl (9S,10R)-9,10-dihydroxy-7-azaspiro[4.6]undecane-7-carboxylate has a molecular weight of 285.38 g/mol, XLogP of 1.91, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (9S,10R)-9,10-dihydroxy-7-azaspiro[4.6]undecane-7-carboxylate is sourced from PubChem (CID 178194398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).