tert-butyl (2R)-2-hydroxy-2-[(2R,6S)-4-[(4-methoxyphenyl)methyl]-6-methyl-3-oxomorpholin-2-yl]acetate

C19H27NO6 — CID 118496322

IUPACtert-butyl (2R)-2-hydroxy-2-[(2R,6S)-4-[(4-methoxyphenyl)methyl]-6-methyl-3-oxomorpholin-2-yl]acetate
SMILESCOc1ccc(CN2C[C@H](C)O[C@H]([C@@H](O)C(=O)OC(C)(C)C)C2=O)cc1
InChIInChI=1S/C19H27NO6/c1-12-10-20(11-13-6-8-14(24-5)9-7-13)17(22)16(25-12)15(21)18(23)26-19(2,3)4/h6-9,12,15-16,21H,10-11H2,1-5H3/t12-,15+,16+/m0/s1
InChIKeyTUHWBWDZSHRQRO-APHBMKBZSA-N
MW365.43 g/mol
LogP1.51
Rot. Bonds5

About tert-butyl (2R)-2-hydroxy-2-[(2R,6S)-4-[(4-methoxyphenyl)methyl]-6-methyl-3-oxomorpholin-2-yl]acetate

tert-butyl (2R)-2-hydroxy-2-[(2R,6S)-4-[(4-methoxyphenyl)methyl]-6-methyl-3-oxomorpholin-2-yl]acetate (PubChem CID 118496322) has the molecular formula C19H27NO6 and a molecular weight of 365.43 g/mol. Its IUPAC name is tert-butyl (2R)-2-hydroxy-2-[(2R,6S)-4-[(4-methoxyphenyl)methyl]-6-methyl-3-oxomorpholin-2-yl]acetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-hydroxy-2-[(2R,6S)-4-[(4-methoxyphenyl)methyl]-6-methyl-3-oxomorpholin-2-yl]acetate
PubChem CID118496322
Molecular FormulaC19H27NO6
Molecular Weight365.43 g/mol
Exact Mass365.18
IUPAC Nametert-butyl (2R)-2-hydroxy-2-[(2R,6S)-4-[(4-methoxyphenyl)methyl]-6-methyl-3-oxomorpholin-2-yl]acetate
SMILESCOc1ccc(CN2C[C@H](C)O[C@H]([C@@H](O)C(=O)OC(C)(C)C)C2=O)cc1
InChIInChI=1S/C19H27NO6/c1-12-10-20(11-13-6-8-14(24-5)9-7-13)17(22)16(25-12)15(21)18(23)26-19(2,3)4/h6-9,12,15-16,21H,10-11H2,1-5H3/t12-,15+,16+/m0/s1
InChIKeyTUHWBWDZSHRQRO-APHBMKBZSA-N
XLogP1.51
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2R)-2-hydroxy-2-[(2R,6S)-4-[(4-methoxyphenyl)methyl]-6-methyl-3-oxomorpholin-2-yl]acetate with MolForge

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Related Compounds

(3S)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 54758410
(6R)-4-[(4-methoxyphenyl)methyl]-6-methyl-2-[1-(1-propylimidazol-4-yl)ethyl]morpholin-3-one
CID 142266231
tert-butyl (2R,3S)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate
CID 13471482
tert-butyl 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxomorpholin-2-yl]acetate
CID 118496235
tert-butyl 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]propanoate
CID 118496428
tert-butyl 1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate
CID 10827429
tert-butyl 4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 130202713
(3S)-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165419609
tert-butyl 7-[(4-methoxyphenyl)methyl]-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 129276127
5-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023092
tert-butyl 2-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[3.5]nonane-8-carboxylate
CID 171080628
1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 140665359

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-hydroxy-2-[(2R,6S)-4-[(4-methoxyphenyl)methyl]-6-methyl-3-oxomorpholin-2-yl]acetate?
The IUPAC name of tert-butyl (2R)-2-hydroxy-2-[(2R,6S)-4-[(4-methoxyphenyl)methyl]-6-methyl-3-oxomorpholin-2-yl]acetate (CID 118496322) is tert-butyl (2R)-2-hydroxy-2-[(2R,6S)-4-[(4-methoxyphenyl)methyl]-6-methyl-3-oxomorpholin-2-yl]acetate.
What is the SMILES notation for tert-butyl (2R)-2-hydroxy-2-[(2R,6S)-4-[(4-methoxyphenyl)methyl]-6-methyl-3-oxomorpholin-2-yl]acetate?
The canonical SMILES for tert-butyl (2R)-2-hydroxy-2-[(2R,6S)-4-[(4-methoxyphenyl)methyl]-6-methyl-3-oxomorpholin-2-yl]acetate is COc1ccc(CN2C[C@H](C)O[C@H]([C@@H](O)C(=O)OC(C)(C)C)C2=O)cc1.
What is the InChIKey of tert-butyl (2R)-2-hydroxy-2-[(2R,6S)-4-[(4-methoxyphenyl)methyl]-6-methyl-3-oxomorpholin-2-yl]acetate?
The InChIKey is TUHWBWDZSHRQRO-APHBMKBZSA-N. The full InChI is InChI=1S/C19H27NO6/c1-12-10-20(11-13-6-8-14(24-5)9-7-13)17(22)16(25-12)15(21)18(23)26-19(2,3)4/h6-9,12,15-16,21H,10-11H2,1-5H3/t12-,15+,16+/m0/s1.
What are the key properties of tert-butyl (2R)-2-hydroxy-2-[(2R,6S)-4-[(4-methoxyphenyl)methyl]-6-methyl-3-oxomorpholin-2-yl]acetate?
tert-butyl (2R)-2-hydroxy-2-[(2R,6S)-4-[(4-methoxyphenyl)methyl]-6-methyl-3-oxomorpholin-2-yl]acetate has a molecular weight of 365.43 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-hydroxy-2-[(2R,6S)-4-[(4-methoxyphenyl)methyl]-6-methyl-3-oxomorpholin-2-yl]acetate is sourced from PubChem (CID 118496322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).