ethyl (2R)-8-oxa-1-azaspiro[4.5]decane-2-carboxylate

C11H19NO3 — CID 97295072

IUPACethyl (2R)-8-oxa-1-azaspiro[4.5]decane-2-carboxylate
SMILESCCOC(=O)[C@H]1CCC2(CCOCC2)N1
InChIInChI=1S/C11H19NO3/c1-2-15-10(13)9-3-4-11(12-9)5-7-14-8-6-11/h9,12H,2-8H2,1H3/t9-/m1/s1
InChIKeyQXZSSQNYUNNRJG-SECBINFHSA-N
MW213.28 g/mol
LogP0.85
Rot. Bonds2

About ethyl (2R)-8-oxa-1-azaspiro[4.5]decane-2-carboxylate

ethyl (2R)-8-oxa-1-azaspiro[4.5]decane-2-carboxylate (PubChem CID 97295072) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl (2R)-8-oxa-1-azaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-8-oxa-1-azaspiro[4.5]decane-2-carboxylate
PubChem CID97295072
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl (2R)-8-oxa-1-azaspiro[4.5]decane-2-carboxylate
SMILESCCOC(=O)[C@H]1CCC2(CCOCC2)N1
InChIInChI=1S/C11H19NO3/c1-2-15-10(13)9-3-4-11(12-9)5-7-14-8-6-11/h9,12H,2-8H2,1H3/t9-/m1/s1
InChIKeyQXZSSQNYUNNRJG-SECBINFHSA-N
XLogP0.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl pyrrolidine-2,5-dicarboxylate
CID 13228037
tert-butyl 7-oxa-1-azaspiro[3.5]nonane-2-carboxylate
CID 167720735
ethyl 2-(4-aminooxan-4-yl)acetate
CID 79002083
ethyl 4-(4-ethoxyoxan-4-yl)-4-oxobutanoate
CID 116774928
ethyl (3R)-morpholine-3-carboxylate
CID 46839508
ethyl 1-oxa-4-azaspiro[4.4]nonane-3-carboxylate
CID 131538145
ethyl 5-oxaspiro[2.4]heptane-2-carboxylate
CID 130668492
ethyl 2,2-bis(4-methyloxan-4-yl)acetate
CID 175344737
(2S,5S)-5-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 54457263
ethyl (2S)-5-aminopyrrolidine-2-carboxylate
CID 118106276
ethyl 1-oxa-2,3-diazacyclononadecane-4-carboxylate
CID 141162487
ethyl 6-methyl-1-oxaspiro[2.5]octane-2-carboxylate
CID 10856446

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-8-oxa-1-azaspiro[4.5]decane-2-carboxylate?
The IUPAC name of ethyl (2R)-8-oxa-1-azaspiro[4.5]decane-2-carboxylate (CID 97295072) is ethyl (2R)-8-oxa-1-azaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for ethyl (2R)-8-oxa-1-azaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for ethyl (2R)-8-oxa-1-azaspiro[4.5]decane-2-carboxylate is CCOC(=O)[C@H]1CCC2(CCOCC2)N1.
What is the InChIKey of ethyl (2R)-8-oxa-1-azaspiro[4.5]decane-2-carboxylate?
The InChIKey is QXZSSQNYUNNRJG-SECBINFHSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-15-10(13)9-3-4-11(12-9)5-7-14-8-6-11/h9,12H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of ethyl (2R)-8-oxa-1-azaspiro[4.5]decane-2-carboxylate?
ethyl (2R)-8-oxa-1-azaspiro[4.5]decane-2-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-8-oxa-1-azaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 97295072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).