tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-(3-phenylmethoxyphenyl)morpholin-2-yl]acetate

C23H27NO6 — CID 58290450

IUPACtert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-(3-phenylmethoxyphenyl)morpholin-2-yl]acetate
SMILESCC(C)(C)OC(=O)[C@H](O)[C@H]1OCCN(c2cccc(OCc3ccccc3)c2)C1=O
InChIInChI=1S/C23H27NO6/c1-23(2,3)30-22(27)19(25)20-21(26)24(12-13-28-20)17-10-7-11-18(14-17)29-15-16-8-5-4-6-9-16/h4-11,14,19-20,25H,12-13,15H2,1-3H3/t19-,20-/m1/s1
InChIKeyQPGNXIKJSKMZDZ-WOJBJXKFSA-N
MW413.47 g/mol
LogP2.70
Rot. Bonds6

About tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-(3-phenylmethoxyphenyl)morpholin-2-yl]acetate

tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-(3-phenylmethoxyphenyl)morpholin-2-yl]acetate (PubChem CID 58290450) has the molecular formula C23H27NO6 and a molecular weight of 413.47 g/mol. Its IUPAC name is tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-(3-phenylmethoxyphenyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-(3-phenylmethoxyphenyl)morpholin-2-yl]acetate
PubChem CID58290450
Molecular FormulaC23H27NO6
Molecular Weight413.47 g/mol
Exact Mass413.18
IUPAC Nametert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-(3-phenylmethoxyphenyl)morpholin-2-yl]acetate
SMILESCC(C)(C)OC(=O)[C@H](O)[C@H]1OCCN(c2cccc(OCc3ccccc3)c2)C1=O
InChIInChI=1S/C23H27NO6/c1-23(2,3)30-22(27)19(25)20-21(26)24(12-13-28-20)17-10-7-11-18(14-17)29-15-16-8-5-4-6-9-16/h4-11,14,19-20,25H,12-13,15H2,1-3H3/t19-,20-/m1/s1
InChIKeyQPGNXIKJSKMZDZ-WOJBJXKFSA-N
XLogP2.70
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-(3-phenylmethoxyphenyl)morpholin-2-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

tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-oxomorpholin-2-yl]acetate
CID 58290529
(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-phenylmethoxyethyl)phenyl]morpholin-2-yl]acetic acid
CID 67223561
tert-butyl (2R)-2-acetyloxy-2-[(2R)-4-[3-[methyl-(2-oxo-2-phenylmethoxyethyl)carbamoyl]phenyl]-3-oxomorpholin-2-yl]acetate
CID 58181985
tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-[methyl-(2-morpholin-4-yl-2-oxoethyl)carbamoyl]phenyl]-3-oxomorpholin-2-yl]acetate
CID 58290515
(3R)-3-amino-1-(3-phenylmethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 135389134
tert-butyl 2-[4-[4-fluoro-3-(oxan-4-yloxy)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate
CID 76743059
tert-butyl 2-[4-[3-(dimethylcarbamoyl)-2-methylphenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate
CID 76717191
tert-butyl (2R)-2-[(2R)-4-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate
CID 58181990
2-oxo-N-(1-phenylethyl)-1-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 46048961
(3S)-2-oxo-N-[(1R)-1-phenylethyl]-1-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 93331332
methyl 2-[2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]-5-(trifluoromethoxy)benzoate
CID 77243541
tert-butyl (2R)-2-[(2R)-4-[2-(difluoromethoxy)-5-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate
CID 67222978

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-(3-phenylmethoxyphenyl)morpholin-2-yl]acetate?
The IUPAC name of tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-(3-phenylmethoxyphenyl)morpholin-2-yl]acetate (CID 58290450) is tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-(3-phenylmethoxyphenyl)morpholin-2-yl]acetate.
What is the SMILES notation for tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-(3-phenylmethoxyphenyl)morpholin-2-yl]acetate?
The canonical SMILES for tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-(3-phenylmethoxyphenyl)morpholin-2-yl]acetate is CC(C)(C)OC(=O)[C@H](O)[C@H]1OCCN(c2cccc(OCc3ccccc3)c2)C1=O.
What is the InChIKey of tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-(3-phenylmethoxyphenyl)morpholin-2-yl]acetate?
The InChIKey is QPGNXIKJSKMZDZ-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H27NO6/c1-23(2,3)30-22(27)19(25)20-21(26)24(12-13-28-20)17-10-7-11-18(14-17)29-15-16-8-5-4-6-9-16/h4-11,14,19-20,25H,12-13,15H2,1-3H3/t19-,20-/m1/s1.
What are the key properties of tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-(3-phenylmethoxyphenyl)morpholin-2-yl]acetate?
tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-(3-phenylmethoxyphenyl)morpholin-2-yl]acetate has a molecular weight of 413.47 g/mol, XLogP of 2.70, 6 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)-3-oxo-4-(3-phenylmethoxyphenyl)morpholin-2-yl]acetate is sourced from PubChem (CID 58290450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).