ethyl (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

C11H19NO4 — CID 93487950

IUPACethyl (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)C[C@H](O)CO2
InChIInChI=1S/C11H19NO4/c1-2-15-10(14)12-5-3-11(4-6-12)7-9(13)8-16-11/h9,13H,2-8H2,1H3/t9-/m0/s1
InChIKeyUARTZSLRRHJQMX-VIFPVBQESA-N
MW229.28 g/mol
LogP0.76
Rot. Bonds1

About ethyl (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

ethyl (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 93487950) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID93487950
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nameethyl (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)C[C@H](O)CO2
InChIInChI=1S/C11H19NO4/c1-2-15-10(14)12-5-3-11(4-6-12)7-9(13)8-16-11/h9,13H,2-8H2,1H3/t9-/m0/s1
InChIKeyUARTZSLRRHJQMX-VIFPVBQESA-N
XLogP0.76
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of ethyl (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 93487950) is ethyl (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for ethyl (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for ethyl (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is CCOC(=O)N1CCC2(CC1)C[C@H](O)CO2.
What is the InChIKey of ethyl (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is UARTZSLRRHJQMX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO4/c1-2-15-10(14)12-5-3-11(4-6-12)7-9(13)8-16-11/h9,13H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of ethyl (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
ethyl (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 93487950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).