9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid

C13H24N2O3 — CID 68898785

IUPAC9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
SMILESCOCCN1CCC2(CC1)CCN(C(=O)O)CC2
InChIInChI=1S/C13H24N2O3/c1-18-11-10-14-6-2-13(3-7-14)4-8-15(9-5-13)12(16)17/h2-11H2,1H3,(H,16,17)
InChIKeyPDTPHMICRDTVLI-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.49
Rot. Bonds3

About 9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid

9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid (PubChem CID 68898785) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid.

Molecular Properties

Compound Name9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
PubChem CID68898785
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
SMILESCOCCN1CCC2(CC1)CCN(C(=O)O)CC2
InChIInChI=1S/C13H24N2O3/c1-18-11-10-14-6-2-13(3-7-14)4-8-15(9-5-13)12(16)17/h2-11H2,1H3,(H,16,17)
InChIKeyPDTPHMICRDTVLI-UHFFFAOYSA-N
XLogP1.49
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid?
The IUPAC name of 9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid (CID 68898785) is 9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid.
What is the SMILES notation for 9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid?
The canonical SMILES for 9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid is COCCN1CCC2(CC1)CCN(C(=O)O)CC2.
What is the InChIKey of 9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid?
The InChIKey is PDTPHMICRDTVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-18-11-10-14-6-2-13(3-7-14)4-8-15(9-5-13)12(16)17/h2-11H2,1H3,(H,16,17).
What are the key properties of 9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid?
9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid is sourced from PubChem (CID 68898785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).