tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[4-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetate

C22H30N2O6 — CID 58181511

IUPACtert-butyl (2R)-2-hydroxy-2-[(2R)-4-[4-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetate
SMILESCc1ccc(N2CCO[C@H]([C@@H](O)C(=O)OC(C)(C)C)C2=O)cc1C(=O)N1CCCC1
InChIInChI=1S/C22H30N2O6/c1-14-7-8-15(13-16(14)19(26)23-9-5-6-10-23)24-11-12-29-18(20(24)27)17(25)21(28)30-22(2,3)4/h7-8,13,17-18,25H,5-6,9-12H2,1-4H3/t17-,18-/m1/s1
InChIKeyRKQFEYWHBCWKHY-QZTJIDSGSA-N
MW418.49 g/mol
LogP1.67
Rot. Bonds4

About tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[4-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetate

tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[4-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetate (PubChem CID 58181511) has the molecular formula C22H30N2O6 and a molecular weight of 418.49 g/mol. Its IUPAC name is tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[4-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-hydroxy-2-[(2R)-4-[4-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetate
PubChem CID58181511
Molecular FormulaC22H30N2O6
Molecular Weight418.49 g/mol
Exact Mass418.21
IUPAC Nametert-butyl (2R)-2-hydroxy-2-[(2R)-4-[4-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetate
SMILESCc1ccc(N2CCO[C@H]([C@@H](O)C(=O)OC(C)(C)C)C2=O)cc1C(=O)N1CCCC1
InChIInChI=1S/C22H30N2O6/c1-14-7-8-15(13-16(14)19(26)23-9-5-6-10-23)24-11-12-29-18(20(24)27)17(25)21(28)30-22(2,3)4/h7-8,13,17-18,25H,5-6,9-12H2,1-4H3/t17-,18-/m1/s1
InChIKeyRKQFEYWHBCWKHY-QZTJIDSGSA-N
XLogP1.67
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[4-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetate with MolForge

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Related Compounds

tert-butyl 2-hydroxy-2-[4-[4-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetate
CID 76717019
[1-[4-[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-[(2-methylpropan-2-yl)oxy]prop-2-enyl] acetate
CID 91354252
tert-butyl (2R)-2-[(2R)-4-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate
CID 58181990
tert-butyl (2R)-2-[(2R)-4-[3-[(2R,5R)-2,5-dimethylpyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate
CID 58181599
tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-oxomorpholin-2-yl]acetate
CID 58290529
tert-butyl 2-[4-[4-fluoro-3-(oxan-4-yloxy)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate
CID 76743059
tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetate
CID 58290546
tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-(3-phenylmethoxyphenyl)morpholin-2-yl]acetate
CID 58290450
tert-butyl 2-[4-[3-(dimethylcarbamoyl)-2-methylphenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate
CID 76717191
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
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)-4-[4-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetate?
The IUPAC name of tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[4-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetate (CID 58181511) is tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[4-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetate.
What is the SMILES notation for tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[4-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetate?
The canonical SMILES for tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[4-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetate is Cc1ccc(N2CCO[C@H]([C@@H](O)C(=O)OC(C)(C)C)C2=O)cc1C(=O)N1CCCC1.
What is the InChIKey of tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[4-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetate?
The InChIKey is RKQFEYWHBCWKHY-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H30N2O6/c1-14-7-8-15(13-16(14)19(26)23-9-5-6-10-23)24-11-12-29-18(20(24)27)17(25)21(28)30-22(2,3)4/h7-8,13,17-18,25H,5-6,9-12H2,1-4H3/t17-,18-/m1/s1.
What are the key properties of tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[4-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetate?
tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[4-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetate has a molecular weight of 418.49 g/mol, XLogP of 1.67, 4 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)-4-[4-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetate is sourced from PubChem (CID 58181511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).