methyl (2R)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetate

C22H25NO5 — CID 101445842

IUPACmethyl (2R)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetate
SMILESCOC(=O)[C@@](OC(C)(C)C)(c1ccccc1)[C@]1(O)C(=O)N(C)c2ccccc21
InChIInChI=1S/C22H25NO5/c1-20(2,3)28-22(19(25)27-5,15-11-7-6-8-12-15)21(26)16-13-9-10-14-17(16)23(4)18(21)24/h6-14,26H,1-5H3/t21-,22+/m1/s1
InChIKeyXTDDXCMXSORADJ-YADHBBJMSA-N
MW383.44 g/mol
LogP2.73
Rot. Bonds4

About methyl (2R)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetate

methyl (2R)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetate (PubChem CID 101445842) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is methyl (2R)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetate
PubChem CID101445842
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Namemethyl (2R)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetate
SMILESCOC(=O)[C@@](OC(C)(C)C)(c1ccccc1)[C@]1(O)C(=O)N(C)c2ccccc21
InChIInChI=1S/C22H25NO5/c1-20(2,3)28-22(19(25)27-5,15-11-7-6-8-12-15)21(26)16-13-9-10-14-17(16)23(4)18(21)24/h6-14,26H,1-5H3/t21-,22+/m1/s1
InChIKeyXTDDXCMXSORADJ-YADHBBJMSA-N
XLogP2.73
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetate 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

methyl (2R)-2-(4-chlorophenyl)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-phenylmethoxyacetate
CID 101445846
(3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 92845660
methyl (2S)-2-[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-(4-methylphenyl)-2-phenylmethoxyacetate
CID 53371867
3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-hydroxy-1-methylindol-2-one
CID 102346465
methyl (3S)-3-[(3S)-3-methoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate
CID 122219444
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
3-benzyl-1-methyl-3-(2-phenylpropan-2-ylperoxy)indol-2-one
CID 154712691
methyl 1'-methyl-2'-oxo-4-phenylspiro[cyclopenta-1,3-diene-5,3'-indole]-1-carboxylate
CID 134845126
methyl (3R)-1-methyl-2-oxo-3-propan-2-ylindole-3-carboxylate
CID 171828755
methyl (2R)-3-bromo-2-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]propanoate
CID 102189808
methyl (E)-3-(1,3-dimethyl-2-oxoindol-3-yl)prop-2-enoate
CID 57389469
3-tert-butylperoxy-1-methyl-2-oxoindole-3-carbonitrile
CID 132919206

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetate?
The IUPAC name of methyl (2R)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetate (CID 101445842) is methyl (2R)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetate is COC(=O)[C@@](OC(C)(C)C)(c1ccccc1)[C@]1(O)C(=O)N(C)c2ccccc21.
What is the InChIKey of methyl (2R)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetate?
The InChIKey is XTDDXCMXSORADJ-YADHBBJMSA-N. The full InChI is InChI=1S/C22H25NO5/c1-20(2,3)28-22(19(25)27-5,15-11-7-6-8-12-15)21(26)16-13-9-10-14-17(16)23(4)18(21)24/h6-14,26H,1-5H3/t21-,22+/m1/s1.
What are the key properties of methyl (2R)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetate?
methyl (2R)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetate has a molecular weight of 383.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetate is sourced from PubChem (CID 101445842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).