hydroxymethyl 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate

C9H15NO4 — CID 174155165

IUPAChydroxymethyl 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate
SMILESO=C(OCO)N1CC2(CCOCC2)C1
InChIInChI=1S/C9H15NO4/c11-7-14-8(12)10-5-9(6-10)1-3-13-4-2-9/h11H,1-7H2
InChIKeyHJIUCLRCIOTOTK-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.19
Rot. Bonds1

About hydroxymethyl 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate

hydroxymethyl 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate (PubChem CID 174155165) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is hydroxymethyl 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Namehydroxymethyl 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate
PubChem CID174155165
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Namehydroxymethyl 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate
SMILESO=C(OCO)N1CC2(CCOCC2)C1
InChIInChI=1S/C9H15NO4/c11-7-14-8(12)10-5-9(6-10)1-3-13-4-2-9/h11H,1-7H2
InChIKeyHJIUCLRCIOTOTK-UHFFFAOYSA-N
XLogP0.19
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxymethyl 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of hydroxymethyl 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate (CID 174155165) is hydroxymethyl 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for hydroxymethyl 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for hydroxymethyl 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate is O=C(OCO)N1CC2(CCOCC2)C1.
What is the InChIKey of hydroxymethyl 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate?
The InChIKey is HJIUCLRCIOTOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c11-7-14-8(12)10-5-9(6-10)1-3-13-4-2-9/h11H,1-7H2.
What are the key properties of hydroxymethyl 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate?
hydroxymethyl 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate has a molecular weight of 201.22 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethyl 7-oxa-2-azaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 174155165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).