tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate

C15H27NO3 — CID 155895162

IUPACtert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC12CCC(O)CC2
InChIInChI=1S/C15H27NO3/c1-14(2,3)19-13(18)16-11-5-4-8-15(16)9-6-12(17)7-10-15/h12,17H,4-11H2,1-3H3
InChIKeyQIESHTZMGMILQV-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.08
Rot. Bonds

About tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate

tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate (PubChem CID 155895162) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate
PubChem CID155895162
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC12CCC(O)CC2
InChIInChI=1S/C15H27NO3/c1-14(2,3)19-13(18)16-11-5-4-8-15(16)9-6-12(17)7-10-15/h12,17H,4-11H2,1-3H3
InChIKeyQIESHTZMGMILQV-UHFFFAOYSA-N
XLogP3.08
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid
CID 56962184
tert-butyl 7-bromo-1-azaspiro[3.5]nonane-1-carboxylate
CID 155894832
tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate
CID 54758971
bis(tert-butyl 2,6-diazaspiro[4.5]decane-6-carboxylate);oxalic acid
CID 91800935
tert-butyl 2-cyano-5-azaspiro[3.4]octane-5-carboxylate
CID 56962171
tert-butyl 2-amino-2-methylpiperidine-1-carboxylate
CID 69118170
2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 42614787
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 27281688
tert-butyl 9-benzyl-1,9-diazaspiro[5.5]undecane-1-carboxylate
CID 66545135
1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[4.4]nonane-3-carboxylic acid
CID 139022581
tert-butyl 6-amino-1-azaspiro[3.4]octane-1-carboxylate
CID 138112241
tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate
CID 134506707

Frequently Asked Questions

What is the IUPAC name of tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate?
The IUPAC name of tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate (CID 155895162) is tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate.
What is the SMILES notation for tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate?
The canonical SMILES for tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC12CCC(O)CC2.
What is the InChIKey of tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate?
The InChIKey is QIESHTZMGMILQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-14(2,3)19-13(18)16-11-5-4-8-15(16)9-6-12(17)7-10-15/h12,17H,4-11H2,1-3H3.
What are the key properties of tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate?
tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate is sourced from PubChem (CID 155895162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).