methyl (2R)-2-(4-chlorophenyl)-2-morpholin-4-ylacetate

C13H16ClNO3 — CID 162418094

IUPACmethyl (2R)-2-(4-chlorophenyl)-2-morpholin-4-ylacetate
SMILESCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C13H16ClNO3/c1-17-13(16)12(15-6-8-18-9-7-15)10-2-4-11(14)5-3-10/h2-5,12H,6-9H2,1H3/t12-/m1/s1
InChIKeyYJPGIEGLZZHHIG-GFCCVEGCSA-N
MW269.73 g/mol
LogP1.89
Rot. Bonds3

About methyl (2R)-2-(4-chlorophenyl)-2-morpholin-4-ylacetate

methyl (2R)-2-(4-chlorophenyl)-2-morpholin-4-ylacetate (PubChem CID 162418094) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is methyl (2R)-2-(4-chlorophenyl)-2-morpholin-4-ylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-chlorophenyl)-2-morpholin-4-ylacetate
PubChem CID162418094
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Namemethyl (2R)-2-(4-chlorophenyl)-2-morpholin-4-ylacetate
SMILESCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C13H16ClNO3/c1-17-13(16)12(15-6-8-18-9-7-15)10-2-4-11(14)5-3-10/h2-5,12H,6-9H2,1H3/t12-/m1/s1
InChIKeyYJPGIEGLZZHHIG-GFCCVEGCSA-N
XLogP1.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Diethylamino)ethyl alpha-phenyl-1-piperidineacetate
CID 72064
2-Oxo-clopidogrel
CID 56848893
1-Morpholinopropan-2-yl 2-(4-chlorophenyl)acetate hydrochloride
CID 2928075
Piprocurarium Iodide
CID 24418
Dipiproverine
CID 72072
(+/-)-threo-N-(4-Chlorobenzyl)methylphenidate
CID 52949753
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 3645747
4-(4-Chloro-phenyl)-1-methyl-piperidine-4-carboxylic acid ethyl ester
CID 11267111
(1,1-Dimethylpiperidin-1-ium-4-yl) 2-(4-chlorophenyl)-2-piperidin-1-ylpropanoate
CID 24988642
1-Methylpiperidin-4-YL 2-(4-chlorophenyl)acetate hydrochloride
CID 2948685
Dipiproverine Hydrochloride
CID 72071
2-(4-Chlorophenyl)-2-(dimethylamino)acetic acid
CID 242172

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-chlorophenyl)-2-morpholin-4-ylacetate?
The IUPAC name of methyl (2R)-2-(4-chlorophenyl)-2-morpholin-4-ylacetate (CID 162418094) is methyl (2R)-2-(4-chlorophenyl)-2-morpholin-4-ylacetate.
What is the SMILES notation for methyl (2R)-2-(4-chlorophenyl)-2-morpholin-4-ylacetate?
The canonical SMILES for methyl (2R)-2-(4-chlorophenyl)-2-morpholin-4-ylacetate is COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of methyl (2R)-2-(4-chlorophenyl)-2-morpholin-4-ylacetate?
The InChIKey is YJPGIEGLZZHHIG-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-17-13(16)12(15-6-8-18-9-7-15)10-2-4-11(14)5-3-10/h2-5,12H,6-9H2,1H3/t12-/m1/s1.
What are the key properties of methyl (2R)-2-(4-chlorophenyl)-2-morpholin-4-ylacetate?
methyl (2R)-2-(4-chlorophenyl)-2-morpholin-4-ylacetate has a molecular weight of 269.73 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-chlorophenyl)-2-morpholin-4-ylacetate is sourced from PubChem (CID 162418094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).