ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(prop-2-enyl)amino]acetate

C15H25NO4 — CID 115539059

IUPACethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)CC1COC2(CCCC2)O1
InChIInChI=1S/C15H25NO4/c1-3-9-16(11-14(17)18-4-2)10-13-12-19-15(20-13)7-5-6-8-15/h3,13H,1,4-12H2,2H3
InChIKeyRFSJBYHYJRMMBR-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.72
Rot. Bonds7

About ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(prop-2-enyl)amino]acetate

ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(prop-2-enyl)amino]acetate (PubChem CID 115539059) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(prop-2-enyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(prop-2-enyl)amino]acetate
PubChem CID115539059
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Nameethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)CC1COC2(CCCC2)O1
InChIInChI=1S/C15H25NO4/c1-3-9-16(11-14(17)18-4-2)10-13-12-19-15(20-13)7-5-6-8-15/h3,13H,1,4-12H2,2H3
InChIKeyRFSJBYHYJRMMBR-UHFFFAOYSA-N
XLogP1.72
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate
CID 78979118
5,8-dioxaspiro[3.4]octan-7-ylmethyl acetate
CID 54401844
3-ethyl-1,4-dioxaspiro[4.4]nonane
CID 20802298
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-prop-2-enylamino]acetate
CID 78979164
N-[(2,3-dimethylphenyl)methyl]-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)prop-2-enamide
CID 166415627
ethyl 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetate
CID 78977809
ethyl 4-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]butanoate
CID 54302600
ethyl 2-[3,3-dimethylbutyl(prop-2-enyl)amino]acetate
CID 78957213
3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methylpropanoic acid
CID 106484521
ethyl 2-[hexyl(prop-2-enyl)amino]acetate
CID 79002539
ethyl 2-[2,2-dimethoxyethyl(prop-2-enyl)amino]acetate
CID 115539187
(3S)-3-ethyl-1,4-dioxaspiro[4.5]decane
CID 129156956

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(prop-2-enyl)amino]acetate?
The IUPAC name of ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(prop-2-enyl)amino]acetate (CID 115539059) is ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(prop-2-enyl)amino]acetate.
What is the SMILES notation for ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(prop-2-enyl)amino]acetate?
The canonical SMILES for ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(prop-2-enyl)amino]acetate is C=CCN(CC(=O)OCC)CC1COC2(CCCC2)O1.
What is the InChIKey of ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(prop-2-enyl)amino]acetate?
The InChIKey is RFSJBYHYJRMMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-3-9-16(11-14(17)18-4-2)10-13-12-19-15(20-13)7-5-6-8-15/h3,13H,1,4-12H2,2H3.
What are the key properties of ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(prop-2-enyl)amino]acetate?
ethyl 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(prop-2-enyl)amino]acetate has a molecular weight of 283.37 g/mol, XLogP of 1.72, 7 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[4.4]nonan-3-ylmethyl(prop-2-enyl)amino]acetate is sourced from PubChem (CID 115539059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).