methyl 2-[(3R,5R)-3,4-dibenzyl-2-oxo-5-phenylmorpholin-3-yl]acetate

C27H27NO4 — CID 101111220

IUPACmethyl 2-[(3R,5R)-3,4-dibenzyl-2-oxo-5-phenylmorpholin-3-yl]acetate
SMILESCOC(=O)C[C@]1(Cc2ccccc2)C(=O)OC[C@@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C27H27NO4/c1-31-25(29)18-27(17-21-11-5-2-6-12-21)26(30)32-20-24(23-15-9-4-10-16-23)28(27)19-22-13-7-3-8-14-22/h2-16,24H,17-20H2,1H3/t24-,27+/m0/s1
InChIKeySTKAEFLAZYQMSM-RPLLCQBOSA-N
MW429.52 g/mol
LogP4.33
Rot. Bonds7

About methyl 2-[(3R,5R)-3,4-dibenzyl-2-oxo-5-phenylmorpholin-3-yl]acetate

methyl 2-[(3R,5R)-3,4-dibenzyl-2-oxo-5-phenylmorpholin-3-yl]acetate (PubChem CID 101111220) has the molecular formula C27H27NO4 and a molecular weight of 429.52 g/mol. Its IUPAC name is methyl 2-[(3R,5R)-3,4-dibenzyl-2-oxo-5-phenylmorpholin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3R,5R)-3,4-dibenzyl-2-oxo-5-phenylmorpholin-3-yl]acetate
PubChem CID101111220
Molecular FormulaC27H27NO4
Molecular Weight429.52 g/mol
Exact Mass429.19
IUPAC Namemethyl 2-[(3R,5R)-3,4-dibenzyl-2-oxo-5-phenylmorpholin-3-yl]acetate
SMILESCOC(=O)C[C@]1(Cc2ccccc2)C(=O)OC[C@@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C27H27NO4/c1-31-25(29)18-27(17-21-11-5-2-6-12-21)26(30)32-20-24(23-15-9-4-10-16-23)28(27)19-22-13-7-3-8-14-22/h2-16,24H,17-20H2,1H3/t24-,27+/m0/s1
InChIKeySTKAEFLAZYQMSM-RPLLCQBOSA-N
XLogP4.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(3R,5R)-3,4-dibenzyl-2-oxo-5-phenylmorpholin-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Diethylamino)ethyl alpha-phenyl-1-piperidineacetate
CID 72064
Methyl N,N-dibenzyl-L-phenylalaninate
CID 15297227
(1,1-Dimethylpiperidin-1-ium-4-yl) 2-(dipropylamino)-2-phenylpropanoate
CID 57391772
(1,1-Dimethylpiperidin-1-ium-4-yl) 2-(dimethylamino)-2-phenylpropanoate
CID 57393500
methyl (2S)-2-(dibenzylamino)-3-(4-methylphenyl)propanoate
CID 168274365
Ethyl 1-(4-biphenylylmethyl)-2-piperidinecarboxylate
CID 2838651
Ethyl-piperidyl-diphenylacetate
CID 226492
Bietamiverine Hydrochloride
CID 72063
Ethyl alpha-phenyl-1-piperidineacetate
CID 202135
Butopiprine
CID 71735
Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, diphenylacetate
CID 58689
Acetic acid, diphenyl-, beta-(4-methyl-1-piperazinyl)phenethyl ester, methobromide
CID 59604

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R,5R)-3,4-dibenzyl-2-oxo-5-phenylmorpholin-3-yl]acetate?
The IUPAC name of methyl 2-[(3R,5R)-3,4-dibenzyl-2-oxo-5-phenylmorpholin-3-yl]acetate (CID 101111220) is methyl 2-[(3R,5R)-3,4-dibenzyl-2-oxo-5-phenylmorpholin-3-yl]acetate.
What is the SMILES notation for methyl 2-[(3R,5R)-3,4-dibenzyl-2-oxo-5-phenylmorpholin-3-yl]acetate?
The canonical SMILES for methyl 2-[(3R,5R)-3,4-dibenzyl-2-oxo-5-phenylmorpholin-3-yl]acetate is COC(=O)C[C@]1(Cc2ccccc2)C(=O)OC[C@@H](c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of methyl 2-[(3R,5R)-3,4-dibenzyl-2-oxo-5-phenylmorpholin-3-yl]acetate?
The InChIKey is STKAEFLAZYQMSM-RPLLCQBOSA-N. The full InChI is InChI=1S/C27H27NO4/c1-31-25(29)18-27(17-21-11-5-2-6-12-21)26(30)32-20-24(23-15-9-4-10-16-23)28(27)19-22-13-7-3-8-14-22/h2-16,24H,17-20H2,1H3/t24-,27+/m0/s1.
What are the key properties of methyl 2-[(3R,5R)-3,4-dibenzyl-2-oxo-5-phenylmorpholin-3-yl]acetate?
methyl 2-[(3R,5R)-3,4-dibenzyl-2-oxo-5-phenylmorpholin-3-yl]acetate has a molecular weight of 429.52 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R,5R)-3,4-dibenzyl-2-oxo-5-phenylmorpholin-3-yl]acetate is sourced from PubChem (CID 101111220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).