ethyl 3-hydroxy-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

C12H21NO4 — CID 10243503

IUPACethyl 3-hydroxy-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)CC(O)C(C)O2
InChIInChI=1S/C12H21NO4/c1-3-16-11(15)13-6-4-12(5-7-13)8-10(14)9(2)17-12/h9-10,14H,3-8H2,1-2H3
InChIKeyFAGRQKLLMXVQML-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.15
Rot. Bonds1

About ethyl 3-hydroxy-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

ethyl 3-hydroxy-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 10243503) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is ethyl 3-hydroxy-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID10243503
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nameethyl 3-hydroxy-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)CC(O)C(C)O2
InChIInChI=1S/C12H21NO4/c1-3-16-11(15)13-6-4-12(5-7-13)8-10(14)9(2)17-12/h9-10,14H,3-8H2,1-2H3
InChIKeyFAGRQKLLMXVQML-UHFFFAOYSA-N
XLogP1.15
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of ethyl 3-hydroxy-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 10243503) is ethyl 3-hydroxy-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is CCOC(=O)N1CCC2(CC1)CC(O)C(C)O2.
What is the InChIKey of ethyl 3-hydroxy-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is FAGRQKLLMXVQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-3-16-11(15)13-6-4-12(5-7-13)8-10(14)9(2)17-12/h9-10,14H,3-8H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
ethyl 3-hydroxy-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-2-methyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 10243503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).