3-cyclohexyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid

C15H23NO4 — CID 165496385

IUPAC3-cyclohexyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)C1CCC2(CC1)CN(C1CCCCC1)C(=O)O2
InChIInChI=1S/C15H23NO4/c17-13(18)11-6-8-15(9-7-11)10-16(14(19)20-15)12-4-2-1-3-5-12/h11-12H,1-10H2,(H,17,18)
InChIKeyWHQAHZOKTXFIQI-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.78
Rot. Bonds2

About 3-cyclohexyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid

3-cyclohexyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid (PubChem CID 165496385) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-cyclohexyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid
PubChem CID165496385
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name3-cyclohexyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)C1CCC2(CC1)CN(C1CCCCC1)C(=O)O2
InChIInChI=1S/C15H23NO4/c17-13(18)11-6-8-15(9-7-11)10-16(14(19)20-15)12-4-2-1-3-5-12/h11-12H,1-10H2,(H,17,18)
InChIKeyWHQAHZOKTXFIQI-UHFFFAOYSA-N
XLogP2.78
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 3-cyclohexyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid (CID 165496385) is 3-cyclohexyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid is O=C(O)C1CCC2(CC1)CN(C1CCCCC1)C(=O)O2.
What is the InChIKey of 3-cyclohexyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is WHQAHZOKTXFIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c17-13(18)11-6-8-15(9-7-11)10-16(14(19)20-15)12-4-2-1-3-5-12/h11-12H,1-10H2,(H,17,18).
What are the key properties of 3-cyclohexyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid?
3-cyclohexyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 281.35 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 165496385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).