methyl (2S)-2-phenyl-2-[(2R)-2-phenylpyrrolidin-1-yl]acetate

C19H21NO2 — CID 102206721

IUPACmethyl (2S)-2-phenyl-2-[(2R)-2-phenylpyrrolidin-1-yl]acetate
SMILESCOC(=O)[C@H](c1ccccc1)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C19H21NO2/c1-22-19(21)18(16-11-6-3-7-12-16)20-14-8-13-17(20)15-9-4-2-5-10-15/h2-7,9-12,17-18H,8,13-14H2,1H3/t17-,18+/m1/s1
InChIKeyZSNSDLCGJFNPLX-MSOLQXFVSA-N
MW295.38 g/mol
LogP3.74
Rot. Bonds4

About methyl (2S)-2-phenyl-2-[(2R)-2-phenylpyrrolidin-1-yl]acetate

methyl (2S)-2-phenyl-2-[(2R)-2-phenylpyrrolidin-1-yl]acetate (PubChem CID 102206721) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl (2S)-2-phenyl-2-[(2R)-2-phenylpyrrolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl (2S)-2-phenyl-2-[(2R)-2-phenylpyrrolidin-1-yl]acetate
PubChem CID102206721
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Namemethyl (2S)-2-phenyl-2-[(2R)-2-phenylpyrrolidin-1-yl]acetate
SMILESCOC(=O)[C@H](c1ccccc1)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C19H21NO2/c1-22-19(21)18(16-11-6-3-7-12-16)20-14-8-13-17(20)15-9-4-2-5-10-15/h2-7,9-12,17-18H,8,13-14H2,1H3/t17-,18+/m1/s1
InChIKeyZSNSDLCGJFNPLX-MSOLQXFVSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
CID 51730149
methyl (2S)-2-[(2R)-4-oxo-2-phenyl-2,3-dihydropyridin-1-yl]-2-phenylacetate
CID 10087413
(2S)-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94452171
methyl 2-phenyl-2-piperidin-1-ylacetate
CID 12957460
methyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate
CID 163261886
(2R)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-phenylacetamide
CID 25384402
(2S)-N-carbamoyl-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94452155
(2S)-N-carbamoyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide
CID 8975064
(2S)-N-carbamoyl-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide
CID 8975060
methyl 2-(3-hydroxy-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate
CID 20522495
methyl (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylacetate
CID 95335169
4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid
CID 22353154

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-phenyl-2-[(2R)-2-phenylpyrrolidin-1-yl]acetate?
The IUPAC name of methyl (2S)-2-phenyl-2-[(2R)-2-phenylpyrrolidin-1-yl]acetate (CID 102206721) is methyl (2S)-2-phenyl-2-[(2R)-2-phenylpyrrolidin-1-yl]acetate.
What is the SMILES notation for methyl (2S)-2-phenyl-2-[(2R)-2-phenylpyrrolidin-1-yl]acetate?
The canonical SMILES for methyl (2S)-2-phenyl-2-[(2R)-2-phenylpyrrolidin-1-yl]acetate is COC(=O)[C@H](c1ccccc1)N1CCC[C@@H]1c1ccccc1.
What is the InChIKey of methyl (2S)-2-phenyl-2-[(2R)-2-phenylpyrrolidin-1-yl]acetate?
The InChIKey is ZSNSDLCGJFNPLX-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H21NO2/c1-22-19(21)18(16-11-6-3-7-12-16)20-14-8-13-17(20)15-9-4-2-5-10-15/h2-7,9-12,17-18H,8,13-14H2,1H3/t17-,18+/m1/s1.
What are the key properties of methyl (2S)-2-phenyl-2-[(2R)-2-phenylpyrrolidin-1-yl]acetate?
methyl (2S)-2-phenyl-2-[(2R)-2-phenylpyrrolidin-1-yl]acetate has a molecular weight of 295.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-phenyl-2-[(2R)-2-phenylpyrrolidin-1-yl]acetate is sourced from PubChem (CID 102206721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).