2-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid

C10H17NO3 — CID 121199824

IUPAC2-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
SMILESCN1CC(C(=O)O)C2(CCOCC2)C1
InChIInChI=1S/C10H17NO3/c1-11-6-8(9(12)13)10(7-11)2-4-14-5-3-10/h8H,2-7H2,1H3,(H,12,13)
InChIKeyCTTKKNCSQDQCEZ-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.43
Rot. Bonds1

About 2-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid

2-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid (PubChem CID 121199824) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
PubChem CID121199824
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
SMILESCN1CC(C(=O)O)C2(CCOCC2)C1
InChIInChI=1S/C10H17NO3/c1-11-6-8(9(12)13)10(7-11)2-4-14-5-3-10/h8H,2-7H2,1H3,(H,12,13)
InChIKeyCTTKKNCSQDQCEZ-UHFFFAOYSA-N
XLogP0.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 2-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid (CID 121199824) is 2-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 2-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 2-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid is CN1CC(C(=O)O)C2(CCOCC2)C1.
What is the InChIKey of 2-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is CTTKKNCSQDQCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-11-6-8(9(12)13)10(7-11)2-4-14-5-3-10/h8H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid?
2-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 121199824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).