ethyl 6-(hydroxymethyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate

C11H19NO5 — CID 57057090

IUPACethyl 6-(hydroxymethyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate
SMILESCCOC(=O)N1CCC(CO)C2(C1)OCCO2
InChIInChI=1S/C11H19NO5/c1-2-15-10(14)12-4-3-9(7-13)11(8-12)16-5-6-17-11/h9,13H,2-8H2,1H3
InChIKeyNCUPHJGRUFIQEF-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.20
Rot. Bonds2

About ethyl 6-(hydroxymethyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate

ethyl 6-(hydroxymethyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate (PubChem CID 57057090) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is ethyl 6-(hydroxymethyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Nameethyl 6-(hydroxymethyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate
PubChem CID57057090
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Nameethyl 6-(hydroxymethyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate
SMILESCCOC(=O)N1CCC(CO)C2(C1)OCCO2
InChIInChI=1S/C11H19NO5/c1-2-15-10(14)12-4-3-9(7-13)11(8-12)16-5-6-17-11/h9,13H,2-8H2,1H3
InChIKeyNCUPHJGRUFIQEF-UHFFFAOYSA-N
XLogP0.20
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(hydroxymethyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate?
The IUPAC name of ethyl 6-(hydroxymethyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate (CID 57057090) is ethyl 6-(hydroxymethyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for ethyl 6-(hydroxymethyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for ethyl 6-(hydroxymethyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate is CCOC(=O)N1CCC(CO)C2(C1)OCCO2.
What is the InChIKey of ethyl 6-(hydroxymethyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate?
The InChIKey is NCUPHJGRUFIQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-2-15-10(14)12-4-3-9(7-13)11(8-12)16-5-6-17-11/h9,13H,2-8H2,1H3.
What are the key properties of ethyl 6-(hydroxymethyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate?
ethyl 6-(hydroxymethyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate has a molecular weight of 245.27 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(hydroxymethyl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 57057090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).