2-ethoxycarbonyl-6-azaspiro[2.5]octane-6-carboxylic acid

C11H17NO4 — CID 67538841

IUPAC2-ethoxycarbonyl-6-azaspiro[2.5]octane-6-carboxylic acid
SMILESCCOC(=O)C1CC12CCN(C(=O)O)CC2
InChIInChI=1S/C11H17NO4/c1-2-16-9(13)8-7-11(8)3-5-12(6-4-11)10(14)15/h8H,2-7H2,1H3,(H,14,15)
InChIKeyRCGPHYDEMULBMD-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.33
Rot. Bonds2

About 2-ethoxycarbonyl-6-azaspiro[2.5]octane-6-carboxylic acid

2-ethoxycarbonyl-6-azaspiro[2.5]octane-6-carboxylic acid (PubChem CID 67538841) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-ethoxycarbonyl-6-azaspiro[2.5]octane-6-carboxylic acid.

Molecular Properties

Compound Name2-ethoxycarbonyl-6-azaspiro[2.5]octane-6-carboxylic acid
PubChem CID67538841
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-ethoxycarbonyl-6-azaspiro[2.5]octane-6-carboxylic acid
SMILESCCOC(=O)C1CC12CCN(C(=O)O)CC2
InChIInChI=1S/C11H17NO4/c1-2-16-9(13)8-7-11(8)3-5-12(6-4-11)10(14)15/h8H,2-7H2,1H3,(H,14,15)
InChIKeyRCGPHYDEMULBMD-UHFFFAOYSA-N
XLogP1.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxycarbonyl-6-azaspiro[2.5]octane-6-carboxylic acid?
The IUPAC name of 2-ethoxycarbonyl-6-azaspiro[2.5]octane-6-carboxylic acid (CID 67538841) is 2-ethoxycarbonyl-6-azaspiro[2.5]octane-6-carboxylic acid.
What is the SMILES notation for 2-ethoxycarbonyl-6-azaspiro[2.5]octane-6-carboxylic acid?
The canonical SMILES for 2-ethoxycarbonyl-6-azaspiro[2.5]octane-6-carboxylic acid is CCOC(=O)C1CC12CCN(C(=O)O)CC2.
What is the InChIKey of 2-ethoxycarbonyl-6-azaspiro[2.5]octane-6-carboxylic acid?
The InChIKey is RCGPHYDEMULBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-2-16-9(13)8-7-11(8)3-5-12(6-4-11)10(14)15/h8H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-ethoxycarbonyl-6-azaspiro[2.5]octane-6-carboxylic acid?
2-ethoxycarbonyl-6-azaspiro[2.5]octane-6-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxycarbonyl-6-azaspiro[2.5]octane-6-carboxylic acid is sourced from PubChem (CID 67538841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).