methyl (2S)-2-[(2S)-2-ethylmorpholin-4-yl]-2-(4-fluorophenyl)acetate

C15H20FNO3 — CID 95160744

IUPACmethyl (2S)-2-[(2S)-2-ethylmorpholin-4-yl]-2-(4-fluorophenyl)acetate
SMILESCC[C@H]1CN([C@H](C(=O)OC)c2ccc(F)cc2)CCO1
InChIInChI=1S/C15H20FNO3/c1-3-13-10-17(8-9-20-13)14(15(18)19-2)11-4-6-12(16)7-5-11/h4-7,13-14H,3,8-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyKVRYHLVWWFGHJV-KBPBESRZSA-N
MW281.33 g/mol
LogP2.15
Rot. Bonds4

About methyl (2S)-2-[(2S)-2-ethylmorpholin-4-yl]-2-(4-fluorophenyl)acetate

methyl (2S)-2-[(2S)-2-ethylmorpholin-4-yl]-2-(4-fluorophenyl)acetate (PubChem CID 95160744) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is methyl (2S)-2-[(2S)-2-ethylmorpholin-4-yl]-2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2S)-2-ethylmorpholin-4-yl]-2-(4-fluorophenyl)acetate
PubChem CID95160744
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Namemethyl (2S)-2-[(2S)-2-ethylmorpholin-4-yl]-2-(4-fluorophenyl)acetate
SMILESCC[C@H]1CN([C@H](C(=O)OC)c2ccc(F)cc2)CCO1
InChIInChI=1S/C15H20FNO3/c1-3-13-10-17(8-9-20-13)14(15(18)19-2)11-4-6-12(16)7-5-11/h4-7,13-14H,3,8-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyKVRYHLVWWFGHJV-KBPBESRZSA-N
XLogP2.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylmorpholin-4-yl)-2-(4-fluorophenyl)ethanamine
CID 43562409
methyl (2R)-2-(4-ethylsulfonylpiperazin-1-yl)-2-(4-fluorophenyl)acetate
CID 95280387
methyl 2-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetate
CID 111750143
methyl (2S)-2-(4-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)acetate
CID 95276178
methyl 3-(2-ethylmorpholin-4-yl)-2-methylbutanoate
CID 79406097
methyl (2R)-2-(4-fluorophenyl)-2-[(3R)-3-(propanoylamino)piperidin-1-yl]acetate
CID 100838826
(2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(4-fluorophenyl)acetamide
CID 95276667
methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate
CID 7327391
methyl (2R)-2-(4-fluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate
CID 95280296
methyl 2-(4-ethylphenyl)-2-morpholin-4-ylacetate
CID 116860405
methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide
CID 43831496
methyl 3-(2-ethylmorpholin-4-yl)butanoate
CID 43562857

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2S)-2-ethylmorpholin-4-yl]-2-(4-fluorophenyl)acetate?
The IUPAC name of methyl (2S)-2-[(2S)-2-ethylmorpholin-4-yl]-2-(4-fluorophenyl)acetate (CID 95160744) is methyl (2S)-2-[(2S)-2-ethylmorpholin-4-yl]-2-(4-fluorophenyl)acetate.
What is the SMILES notation for methyl (2S)-2-[(2S)-2-ethylmorpholin-4-yl]-2-(4-fluorophenyl)acetate?
The canonical SMILES for methyl (2S)-2-[(2S)-2-ethylmorpholin-4-yl]-2-(4-fluorophenyl)acetate is CC[C@H]1CN([C@H](C(=O)OC)c2ccc(F)cc2)CCO1.
What is the InChIKey of methyl (2S)-2-[(2S)-2-ethylmorpholin-4-yl]-2-(4-fluorophenyl)acetate?
The InChIKey is KVRYHLVWWFGHJV-KBPBESRZSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-3-13-10-17(8-9-20-13)14(15(18)19-2)11-4-6-12(16)7-5-11/h4-7,13-14H,3,8-10H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of methyl (2S)-2-[(2S)-2-ethylmorpholin-4-yl]-2-(4-fluorophenyl)acetate?
methyl (2S)-2-[(2S)-2-ethylmorpholin-4-yl]-2-(4-fluorophenyl)acetate has a molecular weight of 281.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2S)-2-ethylmorpholin-4-yl]-2-(4-fluorophenyl)acetate is sourced from PubChem (CID 95160744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).