tert-butyl 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]propanoate

C19H27NO6 — CID 118496428

IUPACtert-butyl 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]propanoate
SMILESCOc1ccc(CN2CCO[C@H](C(C)(O)C(=O)OC(C)(C)C)C2=O)cc1
InChIInChI=1S/C19H27NO6/c1-18(2,3)26-17(22)19(4,23)15-16(21)20(10-11-25-15)12-13-6-8-14(24-5)9-7-13/h6-9,15,23H,10-12H2,1-5H3/t15-,19?/m0/s1
InChIKeyZMLRBEXXZRGBQC-FUKCDUGKSA-N
MW365.43 g/mol
LogP1.52
Rot. Bonds5

About tert-butyl 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]propanoate

tert-butyl 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]propanoate (PubChem CID 118496428) has the molecular formula C19H27NO6 and a molecular weight of 365.43 g/mol. Its IUPAC name is tert-butyl 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]propanoate.

Molecular Properties

Compound Nametert-butyl 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]propanoate
PubChem CID118496428
Molecular FormulaC19H27NO6
Molecular Weight365.43 g/mol
Exact Mass365.18
IUPAC Nametert-butyl 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]propanoate
SMILESCOc1ccc(CN2CCO[C@H](C(C)(O)C(=O)OC(C)(C)C)C2=O)cc1
InChIInChI=1S/C19H27NO6/c1-18(2,3)26-17(22)19(4,23)15-16(21)20(10-11-25-15)12-13-6-8-14(24-5)9-7-13/h6-9,15,23H,10-12H2,1-5H3/t15-,19?/m0/s1
InChIKeyZMLRBEXXZRGBQC-FUKCDUGKSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]propanoate 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

tert-butyl 4-benzyl-3-oxomorpholine-2-carboxylate
CID 15649498
tert-butyl 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxomorpholin-2-yl]acetate
CID 118496235
tert-butyl (2R)-2-hydroxy-2-[(2R,6S)-4-[(4-methoxyphenyl)methyl]-6-methyl-3-oxomorpholin-2-yl]acetate
CID 118496322
tert-butyl 2-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[3.5]nonane-8-carboxylate
CID 171080628
2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxomorpholin-2-yl]propanoic acid
CID 90319948
1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 140665359
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)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 54758410
2-[(2,4-dichloro-6-iodophenyl)methyl]-4-[(4-methoxyphenyl)methyl]morpholin-3-one
CID 170961087
(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017
(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441015

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]propanoate?
The IUPAC name of tert-butyl 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]propanoate (CID 118496428) is tert-butyl 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]propanoate.
What is the SMILES notation for tert-butyl 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]propanoate?
The canonical SMILES for tert-butyl 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]propanoate is COc1ccc(CN2CCO[C@H](C(C)(O)C(=O)OC(C)(C)C)C2=O)cc1.
What is the InChIKey of tert-butyl 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]propanoate?
The InChIKey is ZMLRBEXXZRGBQC-FUKCDUGKSA-N. The full InChI is InChI=1S/C19H27NO6/c1-18(2,3)26-17(22)19(4,23)15-16(21)20(10-11-25-15)12-13-6-8-14(24-5)9-7-13/h6-9,15,23H,10-12H2,1-5H3/t15-,19?/m0/s1.
What are the key properties of tert-butyl 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]propanoate?
tert-butyl 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]propanoate has a molecular weight of 365.43 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]propanoate is sourced from PubChem (CID 118496428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).