2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid

C17H29NO2 — CID 63161385

IUPAC2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)C(N2CCC3(CCCC3)CC2)C1
InChIInChI=1S/C17H29NO2/c1-13-4-5-14(16(19)20)15(12-13)18-10-8-17(9-11-18)6-2-3-7-17/h13-15H,2-12H2,1H3,(H,19,20)
InChIKeyYZTJUOCDJRUSMA-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.53
Rot. Bonds2

About 2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid

2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid (PubChem CID 63161385) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid
PubChem CID63161385
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)C(N2CCC3(CCCC3)CC2)C1
InChIInChI=1S/C17H29NO2/c1-13-4-5-14(16(19)20)15(12-13)18-10-8-17(9-11-18)6-2-3-7-17/h13-15H,2-12H2,1H3,(H,19,20)
InChIKeyYZTJUOCDJRUSMA-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid (CID 63161385) is 2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid is CC1CCC(C(=O)O)C(N2CCC3(CCCC3)CC2)C1.
What is the InChIKey of 2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is YZTJUOCDJRUSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-13-4-5-14(16(19)20)15(12-13)18-10-8-17(9-11-18)6-2-3-7-17/h13-15H,2-12H2,1H3,(H,19,20).
What are the key properties of 2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid?
2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 279.42 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 63161385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).