8-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid

C11H17NO3 — CID 165470055

IUPAC8-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESCCC1CCC2(CC1)CC(C(=O)O)=NO2
InChIInChI=1S/C11H17NO3/c1-2-8-3-5-11(6-4-8)7-9(10(13)14)12-15-11/h8H,2-7H2,1H3,(H,13,14)
InChIKeyBVYALIJPJLSBPT-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.19
Rot. Bonds2

About 8-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid

8-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid (PubChem CID 165470055) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 8-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid.

Molecular Properties

Compound Name8-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
PubChem CID165470055
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name8-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESCCC1CCC2(CC1)CC(C(=O)O)=NO2
InChIInChI=1S/C11H17NO3/c1-2-8-3-5-11(6-4-8)7-9(10(13)14)12-15-11/h8H,2-7H2,1H3,(H,13,14)
InChIKeyBVYALIJPJLSBPT-UHFFFAOYSA-N
XLogP2.19
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The IUPAC name of 8-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid (CID 165470055) is 8-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid.
What is the SMILES notation for 8-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The canonical SMILES for 8-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid is CCC1CCC2(CC1)CC(C(=O)O)=NO2.
What is the InChIKey of 8-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The InChIKey is BVYALIJPJLSBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-8-3-5-11(6-4-8)7-9(10(13)14)12-15-11/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 8-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
8-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid is sourced from PubChem (CID 165470055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).