tert-butyl 3-hydroxy-7,7-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

C15H27NO4 — CID 164648021

IUPACtert-butyl 3-hydroxy-7,7-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC(O)CO2)CC1(C)C
InChIInChI=1S/C15H27NO4/c1-13(2,3)20-12(18)16-7-6-15(10-14(16,4)5)8-11(17)9-19-15/h11,17H,6-10H2,1-5H3
InChIKeyCTIWPIPDPMJJET-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.32
Rot. Bonds

About tert-butyl 3-hydroxy-7,7-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

tert-butyl 3-hydroxy-7,7-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 164648021) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-7,7-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-7,7-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID164648021
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nametert-butyl 3-hydroxy-7,7-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC(O)CO2)CC1(C)C
InChIInChI=1S/C15H27NO4/c1-13(2,3)20-12(18)16-7-6-15(10-14(16,4)5)8-11(17)9-19-15/h11,17H,6-10H2,1-5H3
InChIKeyCTIWPIPDPMJJET-UHFFFAOYSA-N
XLogP2.32
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 7-oxa-10-azadispiro[2.1.25.33]decane-10-carboxylate
CID 139026509
4-hydroxy-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 155893424
tert-butyl 9-amino-4,4-dimethyl-3-azaspiro[5.5]undecane-3-carboxylate
CID 155895421
4-methoxy-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 155893247
tert-butyl (3S)-3-bromo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 41417340
ethyl (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 93487950
ethyl (3R)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 93487951
4-O-benzyl 9-O-tert-butyl 10,10-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxylate
CID 166543255
tert-butyl 3,3-dimethylthiomorpholine-4-carboxylate
CID 67034878
tert-butyl 3-fluoro-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate
CID 155896173
tert-butyl 3-(ethylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 170119756
tert-butyl 3-(N'-hydroxycarbamimidoyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 86657867

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-7,7-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 3-hydroxy-7,7-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 164648021) is tert-butyl 3-hydroxy-7,7-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-hydroxy-7,7-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 3-hydroxy-7,7-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC(O)CO2)CC1(C)C.
What is the InChIKey of tert-butyl 3-hydroxy-7,7-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is CTIWPIPDPMJJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-13(2,3)20-12(18)16-7-6-15(10-14(16,4)5)8-11(17)9-19-15/h11,17H,6-10H2,1-5H3.
What are the key properties of tert-butyl 3-hydroxy-7,7-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
tert-butyl 3-hydroxy-7,7-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 285.38 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-7,7-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 164648021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).