ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(prop-2-enyl)amino]acetate

C17H29NO3 — CID 102848069

IUPACethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H29NO3/c1-3-12-18(14-16(19)20-4-2)13-15-8-11-17(21-15)9-6-5-7-10-17/h3,15H,1,4-14H2,2H3
InChIKeyYAXWICXPBYWSSY-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.92
Rot. Bonds7

About ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(prop-2-enyl)amino]acetate

ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(prop-2-enyl)amino]acetate (PubChem CID 102848069) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(prop-2-enyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(prop-2-enyl)amino]acetate
PubChem CID102848069
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Nameethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H29NO3/c1-3-12-18(14-16(19)20-4-2)13-15-8-11-17(21-15)9-6-5-7-10-17/h3,15H,1,4-14H2,2H3
InChIKeyYAXWICXPBYWSSY-UHFFFAOYSA-N
XLogP2.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(prop-2-enyl)amino]acetate?
The IUPAC name of ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(prop-2-enyl)amino]acetate (CID 102848069) is ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(prop-2-enyl)amino]acetate.
What is the SMILES notation for ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(prop-2-enyl)amino]acetate?
The canonical SMILES for ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(prop-2-enyl)amino]acetate is C=CCN(CC(=O)OCC)CC1CCC2(CCCCC2)O1.
What is the InChIKey of ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(prop-2-enyl)amino]acetate?
The InChIKey is YAXWICXPBYWSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-3-12-18(14-16(19)20-4-2)13-15-8-11-17(21-15)9-6-5-7-10-17/h3,15H,1,4-14H2,2H3.
What are the key properties of ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(prop-2-enyl)amino]acetate?
ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(prop-2-enyl)amino]acetate has a molecular weight of 295.42 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-oxaspiro[4.5]decan-2-ylmethyl(prop-2-enyl)amino]acetate is sourced from PubChem (CID 102848069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).