methyl 2-[4-(3-ethylcyclohexyl)morpholin-2-yl]acetate

C15H27NO3 — CID 115537746

IUPACmethyl 2-[4-(3-ethylcyclohexyl)morpholin-2-yl]acetate
SMILESCCC1CCCC(N2CCOC(CC(=O)OC)C2)C1
InChIInChI=1S/C15H27NO3/c1-3-12-5-4-6-13(9-12)16-7-8-19-14(11-16)10-15(17)18-2/h12-14H,3-11H2,1-2H3
InChIKeyUKGRPPMOLGPTPK-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.22
Rot. Bonds4

About methyl 2-[4-(3-ethylcyclohexyl)morpholin-2-yl]acetate

methyl 2-[4-(3-ethylcyclohexyl)morpholin-2-yl]acetate (PubChem CID 115537746) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is methyl 2-[4-(3-ethylcyclohexyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-ethylcyclohexyl)morpholin-2-yl]acetate
PubChem CID115537746
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namemethyl 2-[4-(3-ethylcyclohexyl)morpholin-2-yl]acetate
SMILESCCC1CCCC(N2CCOC(CC(=O)OC)C2)C1
InChIInChI=1S/C15H27NO3/c1-3-12-5-4-6-13(9-12)16-7-8-19-14(11-16)10-15(17)18-2/h12-14H,3-11H2,1-2H3
InChIKeyUKGRPPMOLGPTPK-UHFFFAOYSA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(Trifluoromethyl)cyclohexyl]morpholin-2-yl]acetic acid
CID 66433536
2-[4-[4-(Trifluoromethyl)cyclohexyl]morpholin-2-yl]acetic acid
CID 66434910
Ethyl 1-(3-methylcyclohexyl)-4-piperidinecarboxylate
CID 2846367
(1-Methyl-4-propanoylpiperidin-3-yl) acetate
CID 91087253
2-[4-(2-Cyclohexylpropan-2-yl)morpholin-2-yl]acetic acid
CID 177337311
Ethyl 2-[4-(1-bicyclo[2.2.2]octanyl)morpholin-2-yl]acetate
CID 177337405
Ethyl 2-[4-(2,4-dimethylpentan-3-yl)morpholin-2-yl]acetate
CID 177337440
Ethyl 2-[4-(1-ethylcyclohexyl)morpholin-2-yl]acetate
CID 177337713
ethyl 1-[(1S,3R)-3-methylcyclohexyl]piperidine-4-carboxylate
CID 784078
ethyl 1-[(1R,3R)-3-methylcyclohexyl]piperidine-4-carboxylate
CID 784079
ethyl 1-[(1S,3S)-3-methylcyclohexyl]piperidine-4-carboxylate
CID 784080
ethyl 1-[(1R,3S)-3-methylcyclohexyl]piperidine-4-carboxylate
CID 784081

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-ethylcyclohexyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(3-ethylcyclohexyl)morpholin-2-yl]acetate (CID 115537746) is methyl 2-[4-(3-ethylcyclohexyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(3-ethylcyclohexyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(3-ethylcyclohexyl)morpholin-2-yl]acetate is CCC1CCCC(N2CCOC(CC(=O)OC)C2)C1.
What is the InChIKey of methyl 2-[4-(3-ethylcyclohexyl)morpholin-2-yl]acetate?
The InChIKey is UKGRPPMOLGPTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-12-5-4-6-13(9-12)16-7-8-19-14(11-16)10-15(17)18-2/h12-14H,3-11H2,1-2H3.
What are the key properties of methyl 2-[4-(3-ethylcyclohexyl)morpholin-2-yl]acetate?
methyl 2-[4-(3-ethylcyclohexyl)morpholin-2-yl]acetate has a molecular weight of 269.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-ethylcyclohexyl)morpholin-2-yl]acetate is sourced from PubChem (CID 115537746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).