methyl 7-(hydroxymethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate

C10H17NO5 — CID 22947912

IUPACmethyl 7-(hydroxymethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCOC(=O)N1CCC2(CC1CO)OCCO2
InChIInChI=1S/C10H17NO5/c1-14-9(13)11-3-2-10(6-8(11)7-12)15-4-5-16-10/h8,12H,2-7H2,1H3
InChIKeyLJQCDVFZPFLBDG-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.05
Rot. Bonds1

About methyl 7-(hydroxymethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate

methyl 7-(hydroxymethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 22947912) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is methyl 7-(hydroxymethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Namemethyl 7-(hydroxymethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID22947912
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Namemethyl 7-(hydroxymethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCOC(=O)N1CCC2(CC1CO)OCCO2
InChIInChI=1S/C10H17NO5/c1-14-9(13)11-3-2-10(6-8(11)7-12)15-4-5-16-10/h8,12H,2-7H2,1H3
InChIKeyLJQCDVFZPFLBDG-UHFFFAOYSA-N
XLogP-0.05
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 7-(hydroxymethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of methyl 7-(hydroxymethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate (CID 22947912) is methyl 7-(hydroxymethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for methyl 7-(hydroxymethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for methyl 7-(hydroxymethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate is COC(=O)N1CCC2(CC1CO)OCCO2.
What is the InChIKey of methyl 7-(hydroxymethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is LJQCDVFZPFLBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-14-9(13)11-3-2-10(6-8(11)7-12)15-4-5-16-10/h8,12H,2-7H2,1H3.
What are the key properties of methyl 7-(hydroxymethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
methyl 7-(hydroxymethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 231.25 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(hydroxymethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 22947912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).