3-methoxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid

C10H17NO4 — CID 175780695

IUPAC3-methoxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid
SMILESCOC1CC2(CCOCC2)CN1C(=O)O
InChIInChI=1S/C10H17NO4/c1-14-8-6-10(2-4-15-5-3-10)7-11(8)9(12)13/h8H,2-7H2,1H3,(H,12,13)
InChIKeyYORQJDOZBLRZTK-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.14
Rot. Bonds1

About 3-methoxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid

3-methoxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid (PubChem CID 175780695) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-methoxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid
PubChem CID175780695
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-methoxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid
SMILESCOC1CC2(CCOCC2)CN1C(=O)O
InChIInChI=1S/C10H17NO4/c1-14-8-6-10(2-4-15-5-3-10)7-11(8)9(12)13/h8H,2-7H2,1H3,(H,12,13)
InChIKeyYORQJDOZBLRZTK-UHFFFAOYSA-N
XLogP1.14
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid?
The IUPAC name of 3-methoxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid (CID 175780695) is 3-methoxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid.
What is the SMILES notation for 3-methoxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid?
The canonical SMILES for 3-methoxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid is COC1CC2(CCOCC2)CN1C(=O)O.
What is the InChIKey of 3-methoxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid?
The InChIKey is YORQJDOZBLRZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-14-8-6-10(2-4-15-5-3-10)7-11(8)9(12)13/h8H,2-7H2,1H3,(H,12,13).
What are the key properties of 3-methoxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid?
3-methoxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid is sourced from PubChem (CID 175780695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).