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

C10H15NO4 — CID 165477855

IUPAC8-methoxy-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESCOC1CCC2(CC1)CC(C(=O)O)=NO2
InChIInChI=1S/C10H15NO4/c1-14-7-2-4-10(5-3-7)6-8(9(12)13)11-15-10/h7H,2-6H2,1H3,(H,12,13)
InChIKeyFMFPSJVCHJPMNX-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.18
Rot. Bonds2

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

8-methoxy-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid (PubChem CID 165477855) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 8-methoxy-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
PubChem CID165477855
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name8-methoxy-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESCOC1CCC2(CC1)CC(C(=O)O)=NO2
InChIInChI=1S/C10H15NO4/c1-14-7-2-4-10(5-3-7)6-8(9(12)13)11-15-10/h7H,2-6H2,1H3,(H,12,13)
InChIKeyFMFPSJVCHJPMNX-UHFFFAOYSA-N
XLogP1.18
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The IUPAC name of 8-methoxy-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid (CID 165477855) is 8-methoxy-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid.
What is the SMILES notation for 8-methoxy-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The canonical SMILES for 8-methoxy-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid is COC1CCC2(CC1)CC(C(=O)O)=NO2.
What is the InChIKey of 8-methoxy-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The InChIKey is FMFPSJVCHJPMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-14-7-2-4-10(5-3-7)6-8(9(12)13)11-15-10/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of 8-methoxy-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
8-methoxy-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid is sourced from PubChem (CID 165477855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).