ethyl 2-(6-oxaspiro[4.5]decan-9-ylamino)acetate

C13H23NO3 — CID 79895269

IUPACethyl 2-(6-oxaspiro[4.5]decan-9-ylamino)acetate
SMILESCCOC(=O)CNC1CCOC2(CCCC2)C1
InChIInChI=1S/C13H23NO3/c1-2-16-12(15)10-14-11-5-8-17-13(9-11)6-3-4-7-13/h11,14H,2-10H2,1H3
InChIKeyXMUJRMWSAZLCDO-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.63
Rot. Bonds4

About ethyl 2-(6-oxaspiro[4.5]decan-9-ylamino)acetate

ethyl 2-(6-oxaspiro[4.5]decan-9-ylamino)acetate (PubChem CID 79895269) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl 2-(6-oxaspiro[4.5]decan-9-ylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(6-oxaspiro[4.5]decan-9-ylamino)acetate
PubChem CID79895269
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameethyl 2-(6-oxaspiro[4.5]decan-9-ylamino)acetate
SMILESCCOC(=O)CNC1CCOC2(CCCC2)C1
InChIInChI=1S/C13H23NO3/c1-2-16-12(15)10-14-11-5-8-17-13(9-11)6-3-4-7-13/h11,14H,2-10H2,1H3
InChIKeyXMUJRMWSAZLCDO-UHFFFAOYSA-N
XLogP1.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(1-oxaspiro[5.5]undecan-4-ylamino)butanoate
CID 79904131
N-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine
CID 114616860
2-(6-oxaspiro[4.5]decan-9-ylamino)ethylurea
CID 83120645
6-oxaspiro[4.5]decan-9-ylurea
CID 127598348
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
N-(2-ethoxypropyl)-1-oxaspiro[5.5]undecan-4-amine
CID 113477257
methyl 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)propanoate
CID 79894913
ethyl 2-[(4,4-dimethylcycloheptyl)amino]acetate
CID 65083489
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-methylacetamide
CID 79897971
4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclohexan-1-ol
CID 106133298
N-[(4-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903426

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-oxaspiro[4.5]decan-9-ylamino)acetate?
The IUPAC name of ethyl 2-(6-oxaspiro[4.5]decan-9-ylamino)acetate (CID 79895269) is ethyl 2-(6-oxaspiro[4.5]decan-9-ylamino)acetate.
What is the SMILES notation for ethyl 2-(6-oxaspiro[4.5]decan-9-ylamino)acetate?
The canonical SMILES for ethyl 2-(6-oxaspiro[4.5]decan-9-ylamino)acetate is CCOC(=O)CNC1CCOC2(CCCC2)C1.
What is the InChIKey of ethyl 2-(6-oxaspiro[4.5]decan-9-ylamino)acetate?
The InChIKey is XMUJRMWSAZLCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-16-12(15)10-14-11-5-8-17-13(9-11)6-3-4-7-13/h11,14H,2-10H2,1H3.
What are the key properties of ethyl 2-(6-oxaspiro[4.5]decan-9-ylamino)acetate?
ethyl 2-(6-oxaspiro[4.5]decan-9-ylamino)acetate has a molecular weight of 241.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-oxaspiro[4.5]decan-9-ylamino)acetate is sourced from PubChem (CID 79895269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).