tert-butyl 2-(4-hydroxyphenyl)-1-oxa-9-azaspiro[4.5]decane-9-carboxylate

C19H27NO4 — CID 53485911

IUPACtert-butyl 2-(4-hydroxyphenyl)-1-oxa-9-azaspiro[4.5]decane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CCC(c3ccc(O)cc3)O2)C1
InChIInChI=1S/C19H27NO4/c1-18(2,3)24-17(22)20-12-4-10-19(13-20)11-9-16(23-19)14-5-7-15(21)8-6-14/h5-8,16,21H,4,9-13H2,1-3H3
InChIKeyDCQWZNDAHMRGIR-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.01
Rot. Bonds1

About tert-butyl 2-(4-hydroxyphenyl)-1-oxa-9-azaspiro[4.5]decane-9-carboxylate

tert-butyl 2-(4-hydroxyphenyl)-1-oxa-9-azaspiro[4.5]decane-9-carboxylate (PubChem CID 53485911) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is tert-butyl 2-(4-hydroxyphenyl)-1-oxa-9-azaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(4-hydroxyphenyl)-1-oxa-9-azaspiro[4.5]decane-9-carboxylate
PubChem CID53485911
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Nametert-butyl 2-(4-hydroxyphenyl)-1-oxa-9-azaspiro[4.5]decane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CCC(c3ccc(O)cc3)O2)C1
InChIInChI=1S/C19H27NO4/c1-18(2,3)24-17(22)20-12-4-10-19(13-20)11-9-16(23-19)14-5-7-15(21)8-6-14/h5-8,16,21H,4,9-13H2,1-3H3
InChIKeyDCQWZNDAHMRGIR-UHFFFAOYSA-N
XLogP4.01
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R,5R)-2-formyl-1-oxa-9-azaspiro[4.5]decane-9-carboxylate
CID 71763342
8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[5.5]undecane-2-carboxylic acid
CID 162342316
tert-butyl 2-oxo-1,3-dioxa-9-azaspiro[4.5]decane-9-carboxylate
CID 167468572
tert-butyl 7-(iodomethyl)-6-oxa-2-azaspiro[4.5]decane-2-carboxylate
CID 121229816
tert-butyl 2-(aminomethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 121229920
(3R,5S)-9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.5]decane-3-carboxylic acid
CID 97111514
tert-butyl 3-(4-tert-butylphenyl)pyrrolidine-1-carboxylate
CID 169495150
(3S)-3-(cyclopropylmethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 97159085
3-(cyclobutylmethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 79422859
tert-butyl (4S)-3-fluoro-4-(4-hydroxyphenyl)piperidine-1-carboxylate;ethane
CID 144885917
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[5.5]undecane-9-carboxylate
CID 71773048
(3S)-3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 26601059

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-hydroxyphenyl)-1-oxa-9-azaspiro[4.5]decane-9-carboxylate?
The IUPAC name of tert-butyl 2-(4-hydroxyphenyl)-1-oxa-9-azaspiro[4.5]decane-9-carboxylate (CID 53485911) is tert-butyl 2-(4-hydroxyphenyl)-1-oxa-9-azaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for tert-butyl 2-(4-hydroxyphenyl)-1-oxa-9-azaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for tert-butyl 2-(4-hydroxyphenyl)-1-oxa-9-azaspiro[4.5]decane-9-carboxylate is CC(C)(C)OC(=O)N1CCCC2(CCC(c3ccc(O)cc3)O2)C1.
What is the InChIKey of tert-butyl 2-(4-hydroxyphenyl)-1-oxa-9-azaspiro[4.5]decane-9-carboxylate?
The InChIKey is DCQWZNDAHMRGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-18(2,3)24-17(22)20-12-4-10-19(13-20)11-9-16(23-19)14-5-7-15(21)8-6-14/h5-8,16,21H,4,9-13H2,1-3H3.
What are the key properties of tert-butyl 2-(4-hydroxyphenyl)-1-oxa-9-azaspiro[4.5]decane-9-carboxylate?
tert-butyl 2-(4-hydroxyphenyl)-1-oxa-9-azaspiro[4.5]decane-9-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-hydroxyphenyl)-1-oxa-9-azaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 53485911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).