6-(methoxymethyl)-2,5,8-triazaspiro[3.5]nonane-2-carboxylic acid

C9H17N3O3 — CID 170157193

IUPAC6-(methoxymethyl)-2,5,8-triazaspiro[3.5]nonane-2-carboxylic acid
SMILESCOCC1CNCC2(CN(C(=O)O)C2)N1
InChIInChI=1S/C9H17N3O3/c1-15-3-7-2-10-4-9(11-7)5-12(6-9)8(13)14/h7,10-11H,2-6H2,1H3,(H,13,14)
InChIKeyQTTKKYBTQMKZFO-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.07
Rot. Bonds2

About 6-(methoxymethyl)-2,5,8-triazaspiro[3.5]nonane-2-carboxylic acid

6-(methoxymethyl)-2,5,8-triazaspiro[3.5]nonane-2-carboxylic acid (PubChem CID 170157193) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 6-(methoxymethyl)-2,5,8-triazaspiro[3.5]nonane-2-carboxylic acid.

Molecular Properties

Compound Name6-(methoxymethyl)-2,5,8-triazaspiro[3.5]nonane-2-carboxylic acid
PubChem CID170157193
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name6-(methoxymethyl)-2,5,8-triazaspiro[3.5]nonane-2-carboxylic acid
SMILESCOCC1CNCC2(CN(C(=O)O)C2)N1
InChIInChI=1S/C9H17N3O3/c1-15-3-7-2-10-4-9(11-7)5-12(6-9)8(13)14/h7,10-11H,2-6H2,1H3,(H,13,14)
InChIKeyQTTKKYBTQMKZFO-UHFFFAOYSA-N
XLogP-1.07
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2,5,8-triazaspiro[3.5]nonane-2-carboxylic acid?
The IUPAC name of 6-(methoxymethyl)-2,5,8-triazaspiro[3.5]nonane-2-carboxylic acid (CID 170157193) is 6-(methoxymethyl)-2,5,8-triazaspiro[3.5]nonane-2-carboxylic acid.
What is the SMILES notation for 6-(methoxymethyl)-2,5,8-triazaspiro[3.5]nonane-2-carboxylic acid?
The canonical SMILES for 6-(methoxymethyl)-2,5,8-triazaspiro[3.5]nonane-2-carboxylic acid is COCC1CNCC2(CN(C(=O)O)C2)N1.
What is the InChIKey of 6-(methoxymethyl)-2,5,8-triazaspiro[3.5]nonane-2-carboxylic acid?
The InChIKey is QTTKKYBTQMKZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-15-3-7-2-10-4-9(11-7)5-12(6-9)8(13)14/h7,10-11H,2-6H2,1H3,(H,13,14).
What are the key properties of 6-(methoxymethyl)-2,5,8-triazaspiro[3.5]nonane-2-carboxylic acid?
6-(methoxymethyl)-2,5,8-triazaspiro[3.5]nonane-2-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of -1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2,5,8-triazaspiro[3.5]nonane-2-carboxylic acid is sourced from PubChem (CID 170157193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).