ethyl 2-[1-oxaspiro[5.5]undecan-4-yl(propyl)amino]acetate

C17H31NO3 — CID 79909561

IUPACethyl 2-[1-oxaspiro[5.5]undecan-4-yl(propyl)amino]acetate
SMILESCCCN(CC(=O)OCC)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H31NO3/c1-3-11-18(14-16(19)20-4-2)15-8-12-21-17(13-15)9-6-5-7-10-17/h15H,3-14H2,1-2H3
InChIKeyFSVZIPCLMNIUHO-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.14
Rot. Bonds6

About ethyl 2-[1-oxaspiro[5.5]undecan-4-yl(propyl)amino]acetate

ethyl 2-[1-oxaspiro[5.5]undecan-4-yl(propyl)amino]acetate (PubChem CID 79909561) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is ethyl 2-[1-oxaspiro[5.5]undecan-4-yl(propyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[1-oxaspiro[5.5]undecan-4-yl(propyl)amino]acetate
PubChem CID79909561
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Nameethyl 2-[1-oxaspiro[5.5]undecan-4-yl(propyl)amino]acetate
SMILESCCCN(CC(=O)OCC)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H31NO3/c1-3-11-18(14-16(19)20-4-2)15-8-12-21-17(13-15)9-6-5-7-10-17/h15H,3-14H2,1-2H3
InChIKeyFSVZIPCLMNIUHO-UHFFFAOYSA-N
XLogP3.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-oxaspiro[5.5]undecan-4-yl(propyl)amino]acetate?
The IUPAC name of ethyl 2-[1-oxaspiro[5.5]undecan-4-yl(propyl)amino]acetate (CID 79909561) is ethyl 2-[1-oxaspiro[5.5]undecan-4-yl(propyl)amino]acetate.
What is the SMILES notation for ethyl 2-[1-oxaspiro[5.5]undecan-4-yl(propyl)amino]acetate?
The canonical SMILES for ethyl 2-[1-oxaspiro[5.5]undecan-4-yl(propyl)amino]acetate is CCCN(CC(=O)OCC)C1CCOC2(CCCCC2)C1.
What is the InChIKey of ethyl 2-[1-oxaspiro[5.5]undecan-4-yl(propyl)amino]acetate?
The InChIKey is FSVZIPCLMNIUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-3-11-18(14-16(19)20-4-2)15-8-12-21-17(13-15)9-6-5-7-10-17/h15H,3-14H2,1-2H3.
What are the key properties of ethyl 2-[1-oxaspiro[5.5]undecan-4-yl(propyl)amino]acetate?
ethyl 2-[1-oxaspiro[5.5]undecan-4-yl(propyl)amino]acetate has a molecular weight of 297.44 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-oxaspiro[5.5]undecan-4-yl(propyl)amino]acetate is sourced from PubChem (CID 79909561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).