methyl (2S)-2-hydroxy-2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-2-phenylacetate

C18H17NO4 — CID 98455215

IUPACmethyl (2S)-2-hydroxy-2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-2-phenylacetate
SMILESCOC(=O)[C@@](O)(c1ccccc1)[C@@H]1C(=O)N(C)c2ccccc21
InChIInChI=1S/C18H17NO4/c1-19-14-11-7-6-10-13(14)15(16(19)20)18(22,17(21)23-2)12-8-4-3-5-9-12/h3-11,15,22H,1-2H3/t15-,18+/m0/s1
InChIKeyOHZMQWAFNSGLKZ-MAUKXSAKSA-N
MW311.34 g/mol
LogP1.81
Rot. Bonds3

About methyl (2S)-2-hydroxy-2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-2-phenylacetate

methyl (2S)-2-hydroxy-2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-2-phenylacetate (PubChem CID 98455215) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is methyl (2S)-2-hydroxy-2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2S)-2-hydroxy-2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-2-phenylacetate
PubChem CID98455215
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Namemethyl (2S)-2-hydroxy-2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-2-phenylacetate
SMILESCOC(=O)[C@@](O)(c1ccccc1)[C@@H]1C(=O)N(C)c2ccccc21
InChIInChI=1S/C18H17NO4/c1-19-14-11-7-6-10-13(14)15(16(19)20)18(22,17(21)23-2)12-8-4-3-5-9-12/h3-11,15,22H,1-2H3/t15-,18+/m0/s1
InChIKeyOHZMQWAFNSGLKZ-MAUKXSAKSA-N
XLogP1.81
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-hydroxy-2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-2-phenylacetate
CID 98455213
1-methyl-3-(2-methyl-4-oxopentan-2-yl)-3H-indol-2-one
CID 12015253
methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
CID 23323992
methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070
methyl (2S)-2-hydroxy-2-[(1S)-2-oxocyclohex-3-en-1-yl]-2-phenylacetate
CID 11054395
3-(1-methyl-2-oxo-3H-indol-3-yl)propanoic acid
CID 14956191
methyl 3-(1-methyl-2-oxo-3H-indol-3-yl)propanoate
CID 14956192
tert-butyl 5-(1-hydroxy-2-methoxy-2-oxo-1-phenylethyl)-5,7-dihydrobenzo[d][2]benzazepine-6-carboxylate
CID 162413908
(3R)-3-ethyl-1-methyl-3H-indol-2-one
CID 51382688
methyl 2-hydroxy-2-phenyl-2-[(2R)-piperidin-2-yl]acetate
CID 138501092
3-(2-hydroxyethylamino)-1-methyl-3H-indol-2-one
CID 82236769
3-amino-1-methyl-4-phenyl-3,4-dihydroquinolin-2-one
CID 22312029

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-hydroxy-2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-2-phenylacetate?
The IUPAC name of methyl (2S)-2-hydroxy-2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-2-phenylacetate (CID 98455215) is methyl (2S)-2-hydroxy-2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-2-phenylacetate.
What is the SMILES notation for methyl (2S)-2-hydroxy-2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-2-phenylacetate?
The canonical SMILES for methyl (2S)-2-hydroxy-2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-2-phenylacetate is COC(=O)[C@@](O)(c1ccccc1)[C@@H]1C(=O)N(C)c2ccccc21.
What is the InChIKey of methyl (2S)-2-hydroxy-2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-2-phenylacetate?
The InChIKey is OHZMQWAFNSGLKZ-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H17NO4/c1-19-14-11-7-6-10-13(14)15(16(19)20)18(22,17(21)23-2)12-8-4-3-5-9-12/h3-11,15,22H,1-2H3/t15-,18+/m0/s1.
What are the key properties of methyl (2S)-2-hydroxy-2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-2-phenylacetate?
methyl (2S)-2-hydroxy-2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-2-phenylacetate has a molecular weight of 311.34 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-hydroxy-2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-2-phenylacetate is sourced from PubChem (CID 98455215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).