tert-butyl 7-[(2-hydroxyphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate

C19H27NO5 — CID 69159353

IUPACtert-butyl 7-[(2-hydroxyphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1Cc1ccccc1O)OCCO2
InChIInChI=1S/C19H27NO5/c1-18(2,3)25-17(22)20-9-8-19(23-10-11-24-19)13-15(20)12-14-6-4-5-7-16(14)21/h4-7,15,21H,8-13H2,1-3H3
InChIKeyGMUGHFCCIUDTNY-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.08
Rot. Bonds2

About tert-butyl 7-[(2-hydroxyphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate

tert-butyl 7-[(2-hydroxyphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 69159353) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is tert-butyl 7-[(2-hydroxyphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[(2-hydroxyphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID69159353
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Nametert-butyl 7-[(2-hydroxyphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1Cc1ccccc1O)OCCO2
InChIInChI=1S/C19H27NO5/c1-18(2,3)25-17(22)20-9-8-19(23-10-11-24-19)13-15(20)12-14-6-4-5-7-16(14)21/h4-7,15,21H,8-13H2,1-3H3
InChIKeyGMUGHFCCIUDTNY-UHFFFAOYSA-N
XLogP3.08
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 7-(2-hydroxypropan-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
CID 58442877
(7S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-dioxa-8-azaspiro[4.5]decane-7-carboxylic acid
CID 97301654
8-O-tert-butyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate
CID 134943585
tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate
CID 77221533
tert-butyl (8S)-8-(aminomethyl)-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 71743237
tert-butyl 8-(aminomethyl)-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 78166496
tert-butyl (2S)-2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 50905252
tert-butyl (2S)-2-[(4-chlorophenyl)methyl]-4-hydroxy-4-methylpiperidine-1-carboxylate
CID 155765912
tert-butyl 5-phenyl-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
CID 165341918
tert-butyl 9-ethyl-7-[(R)-hydroxy(phenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
CID 68850522
tert-butyl 4,4-difluoro-2-phenylpiperidine-1-carboxylate
CID 67505810
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[(2-hydroxyphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 7-[(2-hydroxyphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate (CID 69159353) is tert-butyl 7-[(2-hydroxyphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 7-[(2-hydroxyphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 7-[(2-hydroxyphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1Cc1ccccc1O)OCCO2.
What is the InChIKey of tert-butyl 7-[(2-hydroxyphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is GMUGHFCCIUDTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-18(2,3)25-17(22)20-9-8-19(23-10-11-24-19)13-15(20)12-14-6-4-5-7-16(14)21/h4-7,15,21H,8-13H2,1-3H3.
What are the key properties of tert-butyl 7-[(2-hydroxyphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
tert-butyl 7-[(2-hydroxyphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[(2-hydroxyphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 69159353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).