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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Related Compounds

3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid
CID 89456871
3-fluoro-3-(methoxymethyl)azetidine-1-carboxylic acid
CID 175890600
bis((2S)-2-(methoxymethyl)azetidine);oxalic acid
CID 91826002
5-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 112575004
2-(methoxymethyl)piperazine;dihydrochloride
CID 66941255
(2R)-2-(methoxymethyl)piperazine;dihydrochloride
CID 146013224
[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(methoxymethyl)cyclopropyl]methanone
CID 137339938
5-carbonochloridoyl-3a-methoxy-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-2-carboxylic acid
CID 135238426
2-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 91212132
azetidin-3-yl-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]methanone
CID 121204422
[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamic acid
CID 137480787
methyl 4-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate
CID 114486515

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).