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

C17H29NO3 — CID 102848079

IUPACethyl 2-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(CC1CCC2(CCCCC2)O1)C1CC1
InChIInChI=1S/C17H29NO3/c1-2-20-16(19)13-18(14-6-7-14)12-15-8-11-17(21-15)9-4-3-5-10-17/h14-15H,2-13H2,1H3
InChIKeyXQTIEIOWUJIONI-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.90
Rot. Bonds6

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

ethyl 2-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate (PubChem CID 102848079) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate
PubChem CID102848079
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Nameethyl 2-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(CC1CCC2(CCCCC2)O1)C1CC1
InChIInChI=1S/C17H29NO3/c1-2-20-16(19)13-18(14-6-7-14)12-15-8-11-17(21-15)9-4-3-5-10-17/h14-15H,2-13H2,1H3
InChIKeyXQTIEIOWUJIONI-UHFFFAOYSA-N
XLogP2.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate (CID 102848079) is ethyl 2-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate is CCOC(=O)CN(CC1CCC2(CCCCC2)O1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate?
The InChIKey is XQTIEIOWUJIONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-2-20-16(19)13-18(14-6-7-14)12-15-8-11-17(21-15)9-4-3-5-10-17/h14-15H,2-13H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate?
ethyl 2-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate has a molecular weight of 295.42 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetate is sourced from PubChem (CID 102848079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).