2-hydroxyethyl 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate

C9H15NO5 — CID 56615120

IUPAC2-hydroxyethyl 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
SMILESO=C(OCCO)C1CC2(CN1)OCCO2
InChIInChI=1S/C9H15NO5/c11-1-2-13-8(12)7-5-9(6-10-7)14-3-4-15-9/h7,10-11H,1-6H2
InChIKeyIJJZNFYZPSAEFZ-UHFFFAOYSA-N
MW217.22 g/mol
LogP-1.37
Rot. Bonds3

About 2-hydroxyethyl 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate

2-hydroxyethyl 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate (PubChem CID 56615120) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-hydroxyethyl 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
PubChem CID56615120
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name2-hydroxyethyl 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
SMILESO=C(OCCO)C1CC2(CN1)OCCO2
InChIInChI=1S/C9H15NO5/c11-1-2-13-8(12)7-5-9(6-10-7)14-3-4-15-9/h7,10-11H,1-6H2
InChIKeyIJJZNFYZPSAEFZ-UHFFFAOYSA-N
XLogP-1.37
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate?
The IUPAC name of 2-hydroxyethyl 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate (CID 56615120) is 2-hydroxyethyl 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate?
The canonical SMILES for 2-hydroxyethyl 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate is O=C(OCCO)C1CC2(CN1)OCCO2.
What is the InChIKey of 2-hydroxyethyl 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate?
The InChIKey is IJJZNFYZPSAEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c11-1-2-13-8(12)7-5-9(6-10-7)14-3-4-15-9/h7,10-11H,1-6H2.
What are the key properties of 2-hydroxyethyl 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate?
2-hydroxyethyl 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate has a molecular weight of 217.22 g/mol, XLogP of -1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate is sourced from PubChem (CID 56615120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).