methyl 3-(2-acetyloxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylate

C14H23NO5 — CID 91930389

IUPACmethyl 3-(2-acetyloxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylate
SMILESCOC(=O)C1(CCOC(C)=O)COC2(CCCCC2)N1
InChIInChI=1S/C14H23NO5/c1-11(16)19-9-8-13(12(17)18-2)10-20-14(15-13)6-4-3-5-7-14/h15H,3-10H2,1-2H3
InChIKeyYWYXMCCTUKDHLK-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.13
Rot. Bonds4

About methyl 3-(2-acetyloxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylate

methyl 3-(2-acetyloxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylate (PubChem CID 91930389) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 3-(2-acetyloxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-acetyloxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylate
PubChem CID91930389
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Namemethyl 3-(2-acetyloxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylate
SMILESCOC(=O)C1(CCOC(C)=O)COC2(CCCCC2)N1
InChIInChI=1S/C14H23NO5/c1-11(16)19-9-8-13(12(17)18-2)10-20-14(15-13)6-4-3-5-7-14/h15H,3-10H2,1-2H3
InChIKeyYWYXMCCTUKDHLK-UHFFFAOYSA-N
XLogP1.13
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-Ethyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930397
2-(3-Methyl-1-oxa-4-azaspiro[4.5]decan-3-yl)ethyl acetate
CID 91930400
2-[(3R)-3-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]ethyl acetate
CID 138969293

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-acetyloxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylate?
The IUPAC name of methyl 3-(2-acetyloxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylate (CID 91930389) is methyl 3-(2-acetyloxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylate.
What is the SMILES notation for methyl 3-(2-acetyloxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylate?
The canonical SMILES for methyl 3-(2-acetyloxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylate is COC(=O)C1(CCOC(C)=O)COC2(CCCCC2)N1.
What is the InChIKey of methyl 3-(2-acetyloxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylate?
The InChIKey is YWYXMCCTUKDHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-11(16)19-9-8-13(12(17)18-2)10-20-14(15-13)6-4-3-5-7-14/h15H,3-10H2,1-2H3.
What are the key properties of methyl 3-(2-acetyloxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylate?
methyl 3-(2-acetyloxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-acetyloxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylate is sourced from PubChem (CID 91930389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).