ethyl (4R)-4-hydroxy-2-oxido-1-oxa-2-azoniaspiro[4.5]dec-2-ene-3-carboxylate

C11H17NO5 — CID 15701750

IUPACethyl (4R)-4-hydroxy-2-oxido-1-oxa-2-azoniaspiro[4.5]dec-2-ene-3-carboxylate
SMILESCCOC(=O)C1=[N+]([O-])OC2(CCCCC2)[C@@H]1O
InChIInChI=1S/C11H17NO5/c1-2-16-10(14)8-9(13)11(17-12(8)15)6-4-3-5-7-11/h9,13H,2-7H2,1H3/t9-/m1/s1
InChIKeyFFIFXZFWPXKMIF-SECBINFHSA-N
MW243.26 g/mol
LogP0.51
Rot. Bonds2

About ethyl (4R)-4-hydroxy-2-oxido-1-oxa-2-azoniaspiro[4.5]dec-2-ene-3-carboxylate

ethyl (4R)-4-hydroxy-2-oxido-1-oxa-2-azoniaspiro[4.5]dec-2-ene-3-carboxylate (PubChem CID 15701750) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is ethyl (4R)-4-hydroxy-2-oxido-1-oxa-2-azoniaspiro[4.5]dec-2-ene-3-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-4-hydroxy-2-oxido-1-oxa-2-azoniaspiro[4.5]dec-2-ene-3-carboxylate
PubChem CID15701750
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Nameethyl (4R)-4-hydroxy-2-oxido-1-oxa-2-azoniaspiro[4.5]dec-2-ene-3-carboxylate
SMILESCCOC(=O)C1=[N+]([O-])OC2(CCCCC2)[C@@H]1O
InChIInChI=1S/C11H17NO5/c1-2-16-10(14)8-9(13)11(17-12(8)15)6-4-3-5-7-11/h9,13H,2-7H2,1H3/t9-/m1/s1
InChIKeyFFIFXZFWPXKMIF-SECBINFHSA-N
XLogP0.51
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 4-hydroxy-2-oxido-5-phenyl-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate
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ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane
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Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4-hydroxy-2-oxido-1-oxa-2-azoniaspiro[4.5]dec-2-ene-3-carboxylate?
The IUPAC name of ethyl (4R)-4-hydroxy-2-oxido-1-oxa-2-azoniaspiro[4.5]dec-2-ene-3-carboxylate (CID 15701750) is ethyl (4R)-4-hydroxy-2-oxido-1-oxa-2-azoniaspiro[4.5]dec-2-ene-3-carboxylate.
What is the SMILES notation for ethyl (4R)-4-hydroxy-2-oxido-1-oxa-2-azoniaspiro[4.5]dec-2-ene-3-carboxylate?
The canonical SMILES for ethyl (4R)-4-hydroxy-2-oxido-1-oxa-2-azoniaspiro[4.5]dec-2-ene-3-carboxylate is CCOC(=O)C1=[N+]([O-])OC2(CCCCC2)[C@@H]1O.
What is the InChIKey of ethyl (4R)-4-hydroxy-2-oxido-1-oxa-2-azoniaspiro[4.5]dec-2-ene-3-carboxylate?
The InChIKey is FFIFXZFWPXKMIF-SECBINFHSA-N. The full InChI is InChI=1S/C11H17NO5/c1-2-16-10(14)8-9(13)11(17-12(8)15)6-4-3-5-7-11/h9,13H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of ethyl (4R)-4-hydroxy-2-oxido-1-oxa-2-azoniaspiro[4.5]dec-2-ene-3-carboxylate?
ethyl (4R)-4-hydroxy-2-oxido-1-oxa-2-azoniaspiro[4.5]dec-2-ene-3-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-4-hydroxy-2-oxido-1-oxa-2-azoniaspiro[4.5]dec-2-ene-3-carboxylate is sourced from PubChem (CID 15701750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).