ethyl 2-(2,4,4-trimethyl-1-morpholin-4-ylcyclopentyl)acetate

C16H29NO3 — CID 106664180

IUPACethyl 2-(2,4,4-trimethyl-1-morpholin-4-ylcyclopentyl)acetate
SMILESCCOC(=O)CC1(N2CCOCC2)CC(C)(C)CC1C
InChIInChI=1S/C16H29NO3/c1-5-20-14(18)11-16(17-6-8-19-9-7-17)12-15(3,4)10-13(16)2/h13H,5-12H2,1-4H3
InChIKeyAIVRZILIINBDDM-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.47
Rot. Bonds4

About ethyl 2-(2,4,4-trimethyl-1-morpholin-4-ylcyclopentyl)acetate

ethyl 2-(2,4,4-trimethyl-1-morpholin-4-ylcyclopentyl)acetate (PubChem CID 106664180) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is ethyl 2-(2,4,4-trimethyl-1-morpholin-4-ylcyclopentyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,4,4-trimethyl-1-morpholin-4-ylcyclopentyl)acetate
PubChem CID106664180
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nameethyl 2-(2,4,4-trimethyl-1-morpholin-4-ylcyclopentyl)acetate
SMILESCCOC(=O)CC1(N2CCOCC2)CC(C)(C)CC1C
InChIInChI=1S/C16H29NO3/c1-5-20-14(18)11-16(17-6-8-19-9-7-17)12-15(3,4)10-13(16)2/h13H,5-12H2,1-4H3
InChIKeyAIVRZILIINBDDM-UHFFFAOYSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,4,4-trimethyl-1-piperidin-1-ylcyclopentyl)acetate
CID 106664184
ethyl 2-(4-morpholin-4-yloxan-4-yl)acetate
CID 64528602
ethyl 2-(2,5-dimethyl-1-pyrrolidin-1-ylcyclohexyl)acetate
CID 64755856
ethyl 2-[1-(azepan-1-yl)-2-methylcyclopentyl]acetate
CID 65050126
ethyl 2-(4-aminooxan-4-yl)acetate
CID 79002083
ethyl 2-(4-piperidin-1-yloxan-4-yl)acetate
CID 64539283
ethyl 2,2-difluoro-2-(1-hydroxy-2,4,4-trimethylcyclopentyl)acetate
CID 106664078
ethyl 2-[1-(dimethylamino)-2,4,4-trimethylcyclohexyl]acetate
CID 81315503
ethyl 2-(1-amino-3,3-dimethylcyclopentyl)acetate
CID 80699029
ethyl 2-[2-methyl-3-(4-methylpiperazin-1-yl)thian-3-yl]acetate
CID 79951486
ethyl 2-[2,4,4-trimethyl-1-(propylamino)cyclohexyl]acetate
CID 81315036
ethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate
CID 81468053

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4,4-trimethyl-1-morpholin-4-ylcyclopentyl)acetate?
The IUPAC name of ethyl 2-(2,4,4-trimethyl-1-morpholin-4-ylcyclopentyl)acetate (CID 106664180) is ethyl 2-(2,4,4-trimethyl-1-morpholin-4-ylcyclopentyl)acetate.
What is the SMILES notation for ethyl 2-(2,4,4-trimethyl-1-morpholin-4-ylcyclopentyl)acetate?
The canonical SMILES for ethyl 2-(2,4,4-trimethyl-1-morpholin-4-ylcyclopentyl)acetate is CCOC(=O)CC1(N2CCOCC2)CC(C)(C)CC1C.
What is the InChIKey of ethyl 2-(2,4,4-trimethyl-1-morpholin-4-ylcyclopentyl)acetate?
The InChIKey is AIVRZILIINBDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-5-20-14(18)11-16(17-6-8-19-9-7-17)12-15(3,4)10-13(16)2/h13H,5-12H2,1-4H3.
What are the key properties of ethyl 2-(2,4,4-trimethyl-1-morpholin-4-ylcyclopentyl)acetate?
ethyl 2-(2,4,4-trimethyl-1-morpholin-4-ylcyclopentyl)acetate has a molecular weight of 283.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4,4-trimethyl-1-morpholin-4-ylcyclopentyl)acetate is sourced from PubChem (CID 106664180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).