methyl 5-[(3R,5R)-3-methyl-5-phenylmorpholin-4-yl]-5-oxopentanoate

C17H23NO4 — CID 124890114

IUPACmethyl 5-[(3R,5R)-3-methyl-5-phenylmorpholin-4-yl]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N1[C@H](C)COC[C@H]1c1ccccc1
InChIInChI=1S/C17H23NO4/c1-13-11-22-12-15(14-7-4-3-5-8-14)18(13)16(19)9-6-10-17(20)21-2/h3-5,7-8,13,15H,6,9-12H2,1-2H3/t13-,15+/m1/s1
InChIKeyNKJAHTPGJRRFHR-HIFRSBDPSA-N
MW305.37 g/mol
LogP2.32
Rot. Bonds5

About methyl 5-[(3R,5R)-3-methyl-5-phenylmorpholin-4-yl]-5-oxopentanoate

methyl 5-[(3R,5R)-3-methyl-5-phenylmorpholin-4-yl]-5-oxopentanoate (PubChem CID 124890114) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is methyl 5-[(3R,5R)-3-methyl-5-phenylmorpholin-4-yl]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[(3R,5R)-3-methyl-5-phenylmorpholin-4-yl]-5-oxopentanoate
PubChem CID124890114
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namemethyl 5-[(3R,5R)-3-methyl-5-phenylmorpholin-4-yl]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N1[C@H](C)COC[C@H]1c1ccccc1
InChIInChI=1S/C17H23NO4/c1-13-11-22-12-15(14-7-4-3-5-8-14)18(13)16(19)9-6-10-17(20)21-2/h3-5,7-8,13,15H,6,9-12H2,1-2H3/t13-,15+/m1/s1
InChIKeyNKJAHTPGJRRFHR-HIFRSBDPSA-N
XLogP2.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[(3S,5S)-3-methyl-5-phenylmorpholin-4-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile
CID 97094836
methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate
CID 43377701
methyl 5-(1,3-dihydroisoindol-2-yl)-5-oxopentanoate
CID 46113477
1-[(2R,3R,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]-4-methoxybutan-1-one
CID 124735066
methyl 5-(9-ethyl-4-oxo-2-phenyl-1,5,9-triazacyclotridec-1-yl)-5-oxopentanoate
CID 164688195
methyl 5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-5-oxopentanoate
CID 75500939
methyl 4-[(3S,5R)-4-benzyl-2-hydroxy-2-oxo-5-phenyl-1,4,2λ5-oxazaphosphinan-3-yl]butanoate
CID 10525208
methyl 5-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-5-oxopentanoate
CID 97278100
methyl 5-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-oxopentanoate
CID 75507661
(2R,4S)-2-tert-butyl-3-(5-methoxy-5-oxopentanoyl)-1,3-oxazolidine-4-carboxylic acid
CID 10518387
N-[4-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 97023940
ethyl 4-[(4R)-2-oxo-4-phenyloxathiazolidin-3-yl]butanoate
CID 153315857

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3R,5R)-3-methyl-5-phenylmorpholin-4-yl]-5-oxopentanoate?
The IUPAC name of methyl 5-[(3R,5R)-3-methyl-5-phenylmorpholin-4-yl]-5-oxopentanoate (CID 124890114) is methyl 5-[(3R,5R)-3-methyl-5-phenylmorpholin-4-yl]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[(3R,5R)-3-methyl-5-phenylmorpholin-4-yl]-5-oxopentanoate?
The canonical SMILES for methyl 5-[(3R,5R)-3-methyl-5-phenylmorpholin-4-yl]-5-oxopentanoate is COC(=O)CCCC(=O)N1[C@H](C)COC[C@H]1c1ccccc1.
What is the InChIKey of methyl 5-[(3R,5R)-3-methyl-5-phenylmorpholin-4-yl]-5-oxopentanoate?
The InChIKey is NKJAHTPGJRRFHR-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H23NO4/c1-13-11-22-12-15(14-7-4-3-5-8-14)18(13)16(19)9-6-10-17(20)21-2/h3-5,7-8,13,15H,6,9-12H2,1-2H3/t13-,15+/m1/s1.
What are the key properties of methyl 5-[(3R,5R)-3-methyl-5-phenylmorpholin-4-yl]-5-oxopentanoate?
methyl 5-[(3R,5R)-3-methyl-5-phenylmorpholin-4-yl]-5-oxopentanoate has a molecular weight of 305.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3R,5R)-3-methyl-5-phenylmorpholin-4-yl]-5-oxopentanoate is sourced from PubChem (CID 124890114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).