4-(2-azaspiro[3.6]decan-2-yl)cyclohexane-1-carboxylic acid

C16H27NO2 — CID 79694926

IUPAC4-(2-azaspiro[3.6]decan-2-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(N2CC3(CCCCCC3)C2)CC1
InChIInChI=1S/C16H27NO2/c18-15(19)13-5-7-14(8-6-13)17-11-16(12-17)9-3-1-2-4-10-16/h13-14H,1-12H2,(H,18,19)
InChIKeyXKLIEPHDWFTBSK-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.29
Rot. Bonds2

About 4-(2-azaspiro[3.6]decan-2-yl)cyclohexane-1-carboxylic acid

4-(2-azaspiro[3.6]decan-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 79694926) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-(2-azaspiro[3.6]decan-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-azaspiro[3.6]decan-2-yl)cyclohexane-1-carboxylic acid
PubChem CID79694926
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-(2-azaspiro[3.6]decan-2-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(N2CC3(CCCCCC3)C2)CC1
InChIInChI=1S/C16H27NO2/c18-15(19)13-5-7-14(8-6-13)17-11-16(12-17)9-3-1-2-4-10-16/h13-14H,1-12H2,(H,18,19)
InChIKeyXKLIEPHDWFTBSK-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azaspiro[3.6]decan-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-azaspiro[3.6]decan-2-yl)cyclohexane-1-carboxylic acid (CID 79694926) is 4-(2-azaspiro[3.6]decan-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-azaspiro[3.6]decan-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-azaspiro[3.6]decan-2-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(N2CC3(CCCCCC3)C2)CC1.
What is the InChIKey of 4-(2-azaspiro[3.6]decan-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is XKLIEPHDWFTBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c18-15(19)13-5-7-14(8-6-13)17-11-16(12-17)9-3-1-2-4-10-16/h13-14H,1-12H2,(H,18,19).
What are the key properties of 4-(2-azaspiro[3.6]decan-2-yl)cyclohexane-1-carboxylic acid?
4-(2-azaspiro[3.6]decan-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 265.40 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azaspiro[3.6]decan-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79694926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).