8-[2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

C22H30N2O3 — CID 166254738

IUPAC8-[2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESCN1CCC2(CCCN(C(=O)CC3CCCc4ccc(C(=O)O)cc43)C2)C1
InChIInChI=1S/C22H30N2O3/c1-23-11-9-22(14-23)8-3-10-24(15-22)20(25)13-17-5-2-4-16-6-7-18(21(26)27)12-19(16)17/h6-7,12,17H,2-5,8-11,13-15H2,1H3,(H,26,27)
InChIKeyNOWUEFMCVNAPJS-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.14
Rot. Bonds3

About 8-[2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

8-[2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 166254738) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 8-[2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-[2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
PubChem CID166254738
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name8-[2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESCN1CCC2(CCCN(C(=O)CC3CCCc4ccc(C(=O)O)cc43)C2)C1
InChIInChI=1S/C22H30N2O3/c1-23-11-9-22(14-23)8-3-10-24(15-22)20(25)13-17-5-2-4-16-6-7-18(21(26)27)12-19(16)17/h6-7,12,17H,2-5,8-11,13-15H2,1H3,(H,26,27)
InChIKeyNOWUEFMCVNAPJS-UHFFFAOYSA-N
XLogP3.14
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-[2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 8-[2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (CID 166254738) is 8-[2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 8-[2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 8-[2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is CN1CCC2(CCCN(C(=O)CC3CCCc4ccc(C(=O)O)cc43)C2)C1.
What is the InChIKey of 8-[2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is NOWUEFMCVNAPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-23-11-9-22(14-23)8-3-10-24(15-22)20(25)13-17-5-2-4-16-6-7-18(21(26)27)12-19(16)17/h6-7,12,17H,2-5,8-11,13-15H2,1H3,(H,26,27).
What are the key properties of 8-[2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
8-[2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 370.49 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 166254738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).