methyl 2-[(6R)-4-ethyl-2-oxo-6-phenylmorpholin-3-yl]acetate

C15H19NO4 — CID 67247978

IUPACmethyl 2-[(6R)-4-ethyl-2-oxo-6-phenylmorpholin-3-yl]acetate
SMILESCCN1C[C@@H](c2ccccc2)OC(=O)C1CC(=O)OC
InChIInChI=1S/C15H19NO4/c1-3-16-10-13(11-7-5-4-6-8-11)20-15(18)12(16)9-14(17)19-2/h4-8,12-13H,3,9-10H2,1-2H3/t12?,13-/m0/s1
InChIKeyCBJOPAPYPACNAM-ABLWVSNPSA-N
MW277.32 g/mol
LogP1.54
Rot. Bonds4

About methyl 2-[(6R)-4-ethyl-2-oxo-6-phenylmorpholin-3-yl]acetate

methyl 2-[(6R)-4-ethyl-2-oxo-6-phenylmorpholin-3-yl]acetate (PubChem CID 67247978) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 2-[(6R)-4-ethyl-2-oxo-6-phenylmorpholin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(6R)-4-ethyl-2-oxo-6-phenylmorpholin-3-yl]acetate
PubChem CID67247978
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 2-[(6R)-4-ethyl-2-oxo-6-phenylmorpholin-3-yl]acetate
SMILESCCN1C[C@@H](c2ccccc2)OC(=O)C1CC(=O)OC
InChIInChI=1S/C15H19NO4/c1-3-16-10-13(11-7-5-4-6-8-11)20-15(18)12(16)9-14(17)19-2/h4-8,12-13H,3,9-10H2,1-2H3/t12?,13-/m0/s1
InChIKeyCBJOPAPYPACNAM-ABLWVSNPSA-N
XLogP1.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-4-ethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]-6-phenylmorpholin-2-one
CID 161263252
methyl (5S)-2-oxo-5-phenyloxolane-3-carboxylate
CID 102111765
methyl 2-[(4S,5R)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]acetate
CID 11791154
3-methoxy-5-phenyl-1,3-oxazolidin-2-one
CID 13302506
3-acetyl-5-phenyl-1,3-oxazolidin-2-one
CID 101053098
methyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate
CID 91609014
(3S)-3-hydroxy-5-phenyloxolan-2-one
CID 46197935
(3R,5R)-3-hydroxy-5-phenyloxolan-2-one
CID 11665488
methyl 2-(1-benzyl-4-methylpyrrolidin-2-yl)acetate
CID 90060732
3-pentanoyl-5-phenyl-1,3-oxazolidin-2-one
CID 150213764
methyl 4-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]butanoate
CID 155918484
methyl 5-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]pentanoate
CID 155510008

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6R)-4-ethyl-2-oxo-6-phenylmorpholin-3-yl]acetate?
The IUPAC name of methyl 2-[(6R)-4-ethyl-2-oxo-6-phenylmorpholin-3-yl]acetate (CID 67247978) is methyl 2-[(6R)-4-ethyl-2-oxo-6-phenylmorpholin-3-yl]acetate.
What is the SMILES notation for methyl 2-[(6R)-4-ethyl-2-oxo-6-phenylmorpholin-3-yl]acetate?
The canonical SMILES for methyl 2-[(6R)-4-ethyl-2-oxo-6-phenylmorpholin-3-yl]acetate is CCN1C[C@@H](c2ccccc2)OC(=O)C1CC(=O)OC.
What is the InChIKey of methyl 2-[(6R)-4-ethyl-2-oxo-6-phenylmorpholin-3-yl]acetate?
The InChIKey is CBJOPAPYPACNAM-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H19NO4/c1-3-16-10-13(11-7-5-4-6-8-11)20-15(18)12(16)9-14(17)19-2/h4-8,12-13H,3,9-10H2,1-2H3/t12?,13-/m0/s1.
What are the key properties of methyl 2-[(6R)-4-ethyl-2-oxo-6-phenylmorpholin-3-yl]acetate?
methyl 2-[(6R)-4-ethyl-2-oxo-6-phenylmorpholin-3-yl]acetate has a molecular weight of 277.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6R)-4-ethyl-2-oxo-6-phenylmorpholin-3-yl]acetate is sourced from PubChem (CID 67247978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).