ethyl 2-[1,4-dioxaspiro[4.5]decan-7-yl(formyl)amino]acetate

C13H21NO5 — CID 141040486

IUPACethyl 2-[1,4-dioxaspiro[4.5]decan-7-yl(formyl)amino]acetate
SMILESCCOC(=O)CN(C=O)C1CCCC2(C1)OCCO2
InChIInChI=1S/C13H21NO5/c1-2-17-12(16)9-14(10-15)11-4-3-5-13(8-11)18-6-7-19-13/h10-11H,2-9H2,1H3
InChIKeyHDFBWIRNUYUMET-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.69
Rot. Bonds5

About ethyl 2-[1,4-dioxaspiro[4.5]decan-7-yl(formyl)amino]acetate

ethyl 2-[1,4-dioxaspiro[4.5]decan-7-yl(formyl)amino]acetate (PubChem CID 141040486) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is ethyl 2-[1,4-dioxaspiro[4.5]decan-7-yl(formyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[1,4-dioxaspiro[4.5]decan-7-yl(formyl)amino]acetate
PubChem CID141040486
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Nameethyl 2-[1,4-dioxaspiro[4.5]decan-7-yl(formyl)amino]acetate
SMILESCCOC(=O)CN(C=O)C1CCCC2(C1)OCCO2
InChIInChI=1S/C13H21NO5/c1-2-17-12(16)9-14(10-15)11-4-3-5-13(8-11)18-6-7-19-13/h10-11H,2-9H2,1H3
InChIKeyHDFBWIRNUYUMET-UHFFFAOYSA-N
XLogP0.69
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze ethyl 2-[1,4-dioxaspiro[4.5]decan-7-yl(formyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol;ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 165027481
ethyl (4S,6R)-1,7-dioxaspiro[5.5]undecane-4-carboxylate
CID 101378578
ethyl 2-[(4S,5S)-7-hydroxy-1-oxaspiro[4.5]decan-4-yl]acetate
CID 102298649
ethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate
CID 69067707
ethyl 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)sulfamoyl]acetate
CID 79118456
ethyl 2-[(2-aminoacetyl)-cyclobutylamino]acetate
CID 69042060
ethyl 2-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]acetate
CID 79909780
ethyl 2-[[1-(aminomethyl)cyclobutanecarbonyl]-cyclopropylamino]acetate
CID 113311631
(2E)-2-(1,4-dioxaspiro[4.5]decan-7-ylmethylidene)butanal
CID 143238656
ethyl 2-[ethyl(oxan-3-yl)amino]acetate
CID 103892716
ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate
CID 86713762
ethyl 2-[methyl(oxan-4-yl)amino]acetate
CID 43611424

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1,4-dioxaspiro[4.5]decan-7-yl(formyl)amino]acetate?
The IUPAC name of ethyl 2-[1,4-dioxaspiro[4.5]decan-7-yl(formyl)amino]acetate (CID 141040486) is ethyl 2-[1,4-dioxaspiro[4.5]decan-7-yl(formyl)amino]acetate.
What is the SMILES notation for ethyl 2-[1,4-dioxaspiro[4.5]decan-7-yl(formyl)amino]acetate?
The canonical SMILES for ethyl 2-[1,4-dioxaspiro[4.5]decan-7-yl(formyl)amino]acetate is CCOC(=O)CN(C=O)C1CCCC2(C1)OCCO2.
What is the InChIKey of ethyl 2-[1,4-dioxaspiro[4.5]decan-7-yl(formyl)amino]acetate?
The InChIKey is HDFBWIRNUYUMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-2-17-12(16)9-14(10-15)11-4-3-5-13(8-11)18-6-7-19-13/h10-11H,2-9H2,1H3.
What are the key properties of ethyl 2-[1,4-dioxaspiro[4.5]decan-7-yl(formyl)amino]acetate?
ethyl 2-[1,4-dioxaspiro[4.5]decan-7-yl(formyl)amino]acetate has a molecular weight of 271.31 g/mol, XLogP of 0.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1,4-dioxaspiro[4.5]decan-7-yl(formyl)amino]acetate is sourced from PubChem (CID 141040486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).