ethyl 4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate

C13H23NO4 — CID 75485633

IUPACethyl 4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)CC(C)(O)CCO2
InChIInChI=1S/C13H23NO4/c1-3-17-11(15)14-7-4-13(5-8-14)10-12(2,16)6-9-18-13/h16H,3-10H2,1-2H3
InChIKeyVISKNAYISXLWKR-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.54
Rot. Bonds1

About ethyl 4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate

ethyl 4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate (PubChem CID 75485633) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl 4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
PubChem CID75485633
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nameethyl 4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)CC(C)(O)CCO2
InChIInChI=1S/C13H23NO4/c1-3-17-11(15)14-7-4-13(5-8-14)10-12(2,16)6-9-18-13/h16H,3-10H2,1-2H3
InChIKeyVISKNAYISXLWKR-UHFFFAOYSA-N
XLogP1.54
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-hydroxy-4-methylazepane-1-carboxylate
CID 107406895
2-(3,4-dimethylphenoxy)-1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 135103708
ethyl (3R)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 93487951
ethyl (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 93487950
ethyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
CID 97449218
tert-butyl 8-hydroxy-8-methyl-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate
CID 155891545
1-[2-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyridin-2-one
CID 164689718
ethyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 70795313
ethyl 4-[1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108978481
tert-butyl 4,4-difluoro-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 171919158
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 135110690
ethyl 4-hydroxy-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate
CID 10421345

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of ethyl 4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate (CID 75485633) is ethyl 4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate is CCOC(=O)N1CCC2(CC1)CC(C)(O)CCO2.
What is the InChIKey of ethyl 4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate?
The InChIKey is VISKNAYISXLWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-3-17-11(15)14-7-4-13(5-8-14)10-12(2,16)6-9-18-13/h16H,3-10H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate?
ethyl 4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 75485633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).