8-methyl-1,4-dioxa-8-azaspiro[4.5]decane-6-carboxylic acid

C9H15NO4 — CID 83819350

IUPAC8-methyl-1,4-dioxa-8-azaspiro[4.5]decane-6-carboxylic acid
SMILESCN1CCC2(OCCO2)C(C(=O)O)C1
InChIInChI=1S/C9H15NO4/c1-10-3-2-9(13-4-5-14-9)7(6-10)8(11)12/h7H,2-6H2,1H3,(H,11,12)
InChIKeyGTBZRTXOWOKJMR-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.23
Rot. Bonds1

About 8-methyl-1,4-dioxa-8-azaspiro[4.5]decane-6-carboxylic acid

8-methyl-1,4-dioxa-8-azaspiro[4.5]decane-6-carboxylic acid (PubChem CID 83819350) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 8-methyl-1,4-dioxa-8-azaspiro[4.5]decane-6-carboxylic acid.

Molecular Properties

Compound Name8-methyl-1,4-dioxa-8-azaspiro[4.5]decane-6-carboxylic acid
PubChem CID83819350
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name8-methyl-1,4-dioxa-8-azaspiro[4.5]decane-6-carboxylic acid
SMILESCN1CCC2(OCCO2)C(C(=O)O)C1
InChIInChI=1S/C9H15NO4/c1-10-3-2-9(13-4-5-14-9)7(6-10)8(11)12/h7H,2-6H2,1H3,(H,11,12)
InChIKeyGTBZRTXOWOKJMR-UHFFFAOYSA-N
XLogP-0.23
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;6-methyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 144539411
1,4-dioxaspiro[4.6]undecane-6-carboxylic acid
CID 131629776
2-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 121199824
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylpiperidin-3-yl)methanone
CID 110853599
(6S,8S)-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-6-carboxylic acid
CID 138684443
7,9-dimethyl-1,4-dioxa-9-azaspiro[4.6]undecane;ethane;methane
CID 143049086
(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 67923100
1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 12514711
1,2,2-trimethylazetidine-3-carboxylic acid
CID 155290917
[(3S,4S)-4-hydroxy-1,4-dimethylpiperidin-3-yl] acetate
CID 102445283
10,14-dimethyl-1,4,13-trioxa-10-azadispiro[4.1.57.25]tetradecane
CID 10242847
(3S,4R)-4-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol
CID 166167558

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,4-dioxa-8-azaspiro[4.5]decane-6-carboxylic acid?
The IUPAC name of 8-methyl-1,4-dioxa-8-azaspiro[4.5]decane-6-carboxylic acid (CID 83819350) is 8-methyl-1,4-dioxa-8-azaspiro[4.5]decane-6-carboxylic acid.
What is the SMILES notation for 8-methyl-1,4-dioxa-8-azaspiro[4.5]decane-6-carboxylic acid?
The canonical SMILES for 8-methyl-1,4-dioxa-8-azaspiro[4.5]decane-6-carboxylic acid is CN1CCC2(OCCO2)C(C(=O)O)C1.
What is the InChIKey of 8-methyl-1,4-dioxa-8-azaspiro[4.5]decane-6-carboxylic acid?
The InChIKey is GTBZRTXOWOKJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-10-3-2-9(13-4-5-14-9)7(6-10)8(11)12/h7H,2-6H2,1H3,(H,11,12).
What are the key properties of 8-methyl-1,4-dioxa-8-azaspiro[4.5]decane-6-carboxylic acid?
8-methyl-1,4-dioxa-8-azaspiro[4.5]decane-6-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,4-dioxa-8-azaspiro[4.5]decane-6-carboxylic acid is sourced from PubChem (CID 83819350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).