2-ethyl-3,3-dimethyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylic acid

C13H23NO3 — CID 67900626

IUPAC2-ethyl-3,3-dimethyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylic acid
SMILESCCC1OC2(CCCCC2)N(C(=O)O)C1(C)C
InChIInChI=1S/C13H23NO3/c1-4-10-12(2,3)14(11(15)16)13(17-10)8-6-5-7-9-13/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyQQLSUBSCAJSUTO-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.21
Rot. Bonds1

About 2-ethyl-3,3-dimethyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylic acid

2-ethyl-3,3-dimethyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylic acid (PubChem CID 67900626) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-ethyl-3,3-dimethyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3,3-dimethyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylic acid
PubChem CID67900626
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-ethyl-3,3-dimethyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylic acid
SMILESCCC1OC2(CCCCC2)N(C(=O)O)C1(C)C
InChIInChI=1S/C13H23NO3/c1-4-10-12(2,3)14(11(15)16)13(17-10)8-6-5-7-9-13/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyQQLSUBSCAJSUTO-UHFFFAOYSA-N
XLogP3.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,3-dimethyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 2-ethyl-3,3-dimethyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylic acid (CID 67900626) is 2-ethyl-3,3-dimethyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3,3-dimethyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3,3-dimethyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylic acid is CCC1OC2(CCCCC2)N(C(=O)O)C1(C)C.
What is the InChIKey of 2-ethyl-3,3-dimethyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is QQLSUBSCAJSUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-10-12(2,3)14(11(15)16)13(17-10)8-6-5-7-9-13/h10H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-ethyl-3,3-dimethyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylic acid?
2-ethyl-3,3-dimethyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,3-dimethyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 67900626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).