6-(2-ethoxypropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid

C13H21NO4 — CID 119175136

IUPAC6-(2-ethoxypropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCCOC(C)C(=O)N1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C13H21NO4/c1-3-18-9(2)11(15)14-6-4-13(5-7-14)8-10(13)12(16)17/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeyONZYXKKOJBUXDX-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.12
Rot. Bonds4

About 6-(2-ethoxypropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid

6-(2-ethoxypropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119175136) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 6-(2-ethoxypropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-ethoxypropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119175136
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name6-(2-ethoxypropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCCOC(C)C(=O)N1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C13H21NO4/c1-3-18-9(2)11(15)14-6-4-13(5-7-14)8-10(13)12(16)17/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeyONZYXKKOJBUXDX-UHFFFAOYSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxypropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(2-ethoxypropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119175136) is 6-(2-ethoxypropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(2-ethoxypropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(2-ethoxypropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid is CCOC(C)C(=O)N1CCC2(CC1)CC2C(=O)O.
What is the InChIKey of 6-(2-ethoxypropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is ONZYXKKOJBUXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-3-18-9(2)11(15)14-6-4-13(5-7-14)8-10(13)12(16)17/h9-10H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 6-(2-ethoxypropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(2-ethoxypropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxypropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119175136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).