8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid

C15H23NO3 — CID 67317763

IUPAC8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESO=C(O)C1=NOC2(CCC(C3CCCCC3)CC2)C1
InChIInChI=1S/C15H23NO3/c17-14(18)13-10-15(19-16-13)8-6-12(7-9-15)11-4-2-1-3-5-11/h11-12H,1-10H2,(H,17,18)
InChIKeyACALRNHWIDKWRK-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.36
Rot. Bonds2

About 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid

8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid (PubChem CID 67317763) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid.

Molecular Properties

Compound Name8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
PubChem CID67317763
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESO=C(O)C1=NOC2(CCC(C3CCCCC3)CC2)C1
InChIInChI=1S/C15H23NO3/c17-14(18)13-10-15(19-16-13)8-6-12(7-9-15)11-4-2-1-3-5-11/h11-12H,1-10H2,(H,17,18)
InChIKeyACALRNHWIDKWRK-UHFFFAOYSA-N
XLogP3.36
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(Hydroxymethyl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 19085075
1-Oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 50994114
8-Tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 57951449
5,5-dipentyl-4H-1,2-oxazole-3-carboxylic acid
CID 66587689
Ethyl 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate
CID 67315792
spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,5'-4H-1,2-oxazole]-3'-carboxylic acid
CID 67315934
8-(2-Methylbutan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 67316341
4-Tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 69116535
4-Butyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 69117134
5-(2-Adamantyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 84096695
8-Ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 165470055
7,9-Dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 165470057

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The IUPAC name of 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid (CID 67317763) is 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid.
What is the SMILES notation for 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The canonical SMILES for 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid is O=C(O)C1=NOC2(CCC(C3CCCCC3)CC2)C1.
What is the InChIKey of 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The InChIKey is ACALRNHWIDKWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c17-14(18)13-10-15(19-16-13)8-6-12(7-9-15)11-4-2-1-3-5-11/h11-12H,1-10H2,(H,17,18).
What are the key properties of 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid is sourced from PubChem (CID 67317763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).