ethyl 2-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methoxy]acetate

C16H22ClNO4 — CID 170364767

IUPACethyl 2-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methoxy]acetate
SMILESCCOC(=O)COC[C@H]1CN[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C16H22ClNO4/c1-2-21-16(19)11-20-10-15-8-18-14(9-22-15)7-12-3-5-13(17)6-4-12/h3-6,14-15,18H,2,7-11H2,1H3/t14-,15+/m0/s1
InChIKeyAELPLHXEADRURU-LSDHHAIUSA-N
MW327.81 g/mol
LogP1.82
Rot. Bonds7

About ethyl 2-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methoxy]acetate

ethyl 2-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methoxy]acetate (PubChem CID 170364767) has the molecular formula C16H22ClNO4 and a molecular weight of 327.81 g/mol. Its IUPAC name is ethyl 2-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methoxy]acetate
PubChem CID170364767
Molecular FormulaC16H22ClNO4
Molecular Weight327.81 g/mol
Exact Mass327.12
IUPAC Nameethyl 2-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methoxy]acetate
SMILESCCOC(=O)COC[C@H]1CN[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C16H22ClNO4/c1-2-21-16(19)11-20-10-15-8-18-14(9-22-15)7-12-3-5-13(17)6-4-12/h3-6,14-15,18H,2,7-11H2,1H3/t14-,15+/m0/s1
InChIKeyAELPLHXEADRURU-LSDHHAIUSA-N
XLogP1.82
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethylsulfinylmethyl)morpholine
CID 170360871
methyl 3-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methylsulfonyl]propanoate
CID 169321080
2-(methoxymethyl)-5-[(4-methylphenyl)methyl]morpholine
CID 145267911
(2S,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethyl)morpholine;hydrochloride
CID 155765890
3-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]pentan-3-ol
CID 155765794
(1S)-1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethanol
CID 170360607
1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]prop-2-yn-1-one
CID 155577166
2-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-2-yl 2,2,2-trifluoroacetate
CID 126641966
1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]piperidin-2-one
CID 155577011
ethyl (6R)-6-[(4-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylate
CID 126667889
(5S)-5-[(4-chlorophenyl)methyl]-2-phenylmorpholine
CID 169042690
ethyl 2-[[(2R)-oxolan-2-yl]methoxy]acetate
CID 28940137

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methoxy]acetate?
The IUPAC name of ethyl 2-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methoxy]acetate (CID 170364767) is ethyl 2-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methoxy]acetate.
What is the SMILES notation for ethyl 2-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methoxy]acetate?
The canonical SMILES for ethyl 2-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methoxy]acetate is CCOC(=O)COC[C@H]1CN[C@@H](Cc2ccc(Cl)cc2)CO1.
What is the InChIKey of ethyl 2-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methoxy]acetate?
The InChIKey is AELPLHXEADRURU-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H22ClNO4/c1-2-21-16(19)11-20-10-15-8-18-14(9-22-15)7-12-3-5-13(17)6-4-12/h3-6,14-15,18H,2,7-11H2,1H3/t14-,15+/m0/s1.
What are the key properties of ethyl 2-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methoxy]acetate?
ethyl 2-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methoxy]acetate has a molecular weight of 327.81 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methoxy]acetate is sourced from PubChem (CID 170364767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).