1-tert-butyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid

C13H23NO3 — CID 71650848

IUPAC1-tert-butyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESCC(C)(C)C1OCCC12CCN(C(=O)O)CC2
InChIInChI=1S/C13H23NO3/c1-12(2,3)10-13(6-9-17-10)4-7-14(8-5-13)11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyVAQQRPUMVKGRQU-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.58
Rot. Bonds

About 1-tert-butyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid

1-tert-butyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid (PubChem CID 71650848) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-tert-butyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name1-tert-butyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
PubChem CID71650848
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-tert-butyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESCC(C)(C)C1OCCC12CCN(C(=O)O)CC2
InChIInChI=1S/C13H23NO3/c1-12(2,3)10-13(6-9-17-10)4-7-14(8-5-13)11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyVAQQRPUMVKGRQU-UHFFFAOYSA-N
XLogP2.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 1-tert-butyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid (CID 71650848) is 1-tert-butyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 1-tert-butyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 1-tert-butyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid is CC(C)(C)C1OCCC12CCN(C(=O)O)CC2.
What is the InChIKey of 1-tert-butyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is VAQQRPUMVKGRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-12(2,3)10-13(6-9-17-10)4-7-14(8-5-13)11(15)16/h10H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 1-tert-butyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
1-tert-butyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 71650848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).