3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid

C11H19N3O3 — CID 118385500

IUPAC3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid
SMILESCCCN1NC(=O)CC12CCN(C(=O)O)CC2
InChIInChI=1S/C11H19N3O3/c1-2-5-14-11(8-9(15)12-14)3-6-13(7-4-11)10(16)17/h2-8H2,1H3,(H,12,15)(H,16,17)
InChIKeyLBZVXFJTQLWJPH-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.65
Rot. Bonds2

About 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid

3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid (PubChem CID 118385500) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid
PubChem CID118385500
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid
SMILESCCCN1NC(=O)CC12CCN(C(=O)O)CC2
InChIInChI=1S/C11H19N3O3/c1-2-5-14-11(8-9(15)12-14)3-6-13(7-4-11)10(16)17/h2-8H2,1H3,(H,12,15)(H,16,17)
InChIKeyLBZVXFJTQLWJPH-UHFFFAOYSA-N
XLogP0.65
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid (CID 118385500) is 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid is CCCN1NC(=O)CC12CCN(C(=O)O)CC2.
What is the InChIKey of 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is LBZVXFJTQLWJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-2-5-14-11(8-9(15)12-14)3-6-13(7-4-11)10(16)17/h2-8H2,1H3,(H,12,15)(H,16,17).
What are the key properties of 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid?
3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 118385500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).