6-ethyl-9-methoxycarbonyl-1,4-dioxa-9-azaspiro[4.5]decane-6-carboxylic acid

C12H19NO6 — CID 6455069

IUPAC6-ethyl-9-methoxycarbonyl-1,4-dioxa-9-azaspiro[4.5]decane-6-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)OC)CC12OCCO2
InChIInChI=1S/C12H19NO6/c1-3-11(9(14)15)4-5-13(10(16)17-2)8-12(11)18-6-7-19-12/h3-8H2,1-2H3,(H,14,15)
InChIKeyHLTQGHRCVIAJRX-UHFFFAOYSA-N
MW273.28 g/mol
LogP0.68
Rot. Bonds2

About 6-ethyl-9-methoxycarbonyl-1,4-dioxa-9-azaspiro[4.5]decane-6-carboxylic acid

6-ethyl-9-methoxycarbonyl-1,4-dioxa-9-azaspiro[4.5]decane-6-carboxylic acid (PubChem CID 6455069) has the molecular formula C12H19NO6 and a molecular weight of 273.28 g/mol. Its IUPAC name is 6-ethyl-9-methoxycarbonyl-1,4-dioxa-9-azaspiro[4.5]decane-6-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-9-methoxycarbonyl-1,4-dioxa-9-azaspiro[4.5]decane-6-carboxylic acid
PubChem CID6455069
Molecular FormulaC12H19NO6
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name6-ethyl-9-methoxycarbonyl-1,4-dioxa-9-azaspiro[4.5]decane-6-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)OC)CC12OCCO2
InChIInChI=1S/C12H19NO6/c1-3-11(9(14)15)4-5-13(10(16)17-2)8-12(11)18-6-7-19-12/h3-8H2,1-2H3,(H,14,15)
InChIKeyHLTQGHRCVIAJRX-UHFFFAOYSA-N
XLogP0.68
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
CID 63135585
ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate
CID 144942251
6-methoxycarbonyl-6-(2-oxoethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 118960361
methyl 1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 110396649
methyl 3-amino-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 83907145
methyl 3-(aminomethyl)-3-methoxypyrrolidine-1-carboxylate
CID 83907150
methyl 3-amino-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 83907147
methyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate
CID 130711152
methyl 6-(1-ethoxyethenyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate
CID 89336056
methyl 4,4-dimethoxypiperidine-1-carboxylate
CID 84581625
methyl morpholine-4-carboxylate
CID 12575354
methyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130662307

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-9-methoxycarbonyl-1,4-dioxa-9-azaspiro[4.5]decane-6-carboxylic acid?
The IUPAC name of 6-ethyl-9-methoxycarbonyl-1,4-dioxa-9-azaspiro[4.5]decane-6-carboxylic acid (CID 6455069) is 6-ethyl-9-methoxycarbonyl-1,4-dioxa-9-azaspiro[4.5]decane-6-carboxylic acid.
What is the SMILES notation for 6-ethyl-9-methoxycarbonyl-1,4-dioxa-9-azaspiro[4.5]decane-6-carboxylic acid?
The canonical SMILES for 6-ethyl-9-methoxycarbonyl-1,4-dioxa-9-azaspiro[4.5]decane-6-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)OC)CC12OCCO2.
What is the InChIKey of 6-ethyl-9-methoxycarbonyl-1,4-dioxa-9-azaspiro[4.5]decane-6-carboxylic acid?
The InChIKey is HLTQGHRCVIAJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO6/c1-3-11(9(14)15)4-5-13(10(16)17-2)8-12(11)18-6-7-19-12/h3-8H2,1-2H3,(H,14,15).
What are the key properties of 6-ethyl-9-methoxycarbonyl-1,4-dioxa-9-azaspiro[4.5]decane-6-carboxylic acid?
6-ethyl-9-methoxycarbonyl-1,4-dioxa-9-azaspiro[4.5]decane-6-carboxylic acid has a molecular weight of 273.28 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-9-methoxycarbonyl-1,4-dioxa-9-azaspiro[4.5]decane-6-carboxylic acid is sourced from PubChem (CID 6455069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).