3-methoxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid

C12H21NO4 — CID 175780718

IUPAC3-methoxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid
SMILESCOC1CC2(CC(C)OC(C)C2)CN1C(=O)O
InChIInChI=1S/C12H21NO4/c1-8-4-12(5-9(2)17-8)6-10(16-3)13(7-12)11(14)15/h8-10H,4-7H2,1-3H3,(H,14,15)
InChIKeyLAXASILBVHMSGZ-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.92
Rot. Bonds1

About 3-methoxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid

3-methoxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid (PubChem CID 175780718) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-methoxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid
PubChem CID175780718
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name3-methoxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid
SMILESCOC1CC2(CC(C)OC(C)C2)CN1C(=O)O
InChIInChI=1S/C12H21NO4/c1-8-4-12(5-9(2)17-8)6-10(16-3)13(7-12)11(14)15/h8-10H,4-7H2,1-3H3,(H,14,15)
InChIKeyLAXASILBVHMSGZ-UHFFFAOYSA-N
XLogP1.92
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid?
The IUPAC name of 3-methoxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid (CID 175780718) is 3-methoxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid.
What is the SMILES notation for 3-methoxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid?
The canonical SMILES for 3-methoxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid is COC1CC2(CC(C)OC(C)C2)CN1C(=O)O.
What is the InChIKey of 3-methoxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid?
The InChIKey is LAXASILBVHMSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-8-4-12(5-9(2)17-8)6-10(16-3)13(7-12)11(14)15/h8-10H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 3-methoxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid?
3-methoxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid is sourced from PubChem (CID 175780718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).