2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone

C21H23NO4 — CID 73347534

IUPAC2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CC2C[C@@H](O)CN2C(=O)Cc2ccccc2)cc1
InChIInChI=1S/C21H23NO4/c1-26-19-9-7-16(8-10-19)20(24)13-17-12-18(23)14-22(17)21(25)11-15-5-3-2-4-6-15/h2-10,17-18,23H,11-14H2,1H3/t17?,18-/m1/s1
InChIKeyGIQCYSPTOAFEDJ-QRWMCTBCSA-N
MW353.42 g/mol
LogP2.47
Rot. Bonds6

About 2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone

2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone (PubChem CID 73347534) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone
PubChem CID73347534
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CC2C[C@@H](O)CN2C(=O)Cc2ccccc2)cc1
InChIInChI=1S/C21H23NO4/c1-26-19-9-7-16(8-10-19)20(24)13-17-12-18(23)14-22(17)21(25)11-15-5-3-2-4-6-15/h2-10,17-18,23H,11-14H2,1H3/t17?,18-/m1/s1
InChIKeyGIQCYSPTOAFEDJ-QRWMCTBCSA-N
XLogP2.47
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone (CID 73347534) is 2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)CC2C[C@@H](O)CN2C(=O)Cc2ccccc2)cc1.
What is the InChIKey of 2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone?
The InChIKey is GIQCYSPTOAFEDJ-QRWMCTBCSA-N. The full InChI is InChI=1S/C21H23NO4/c1-26-19-9-7-16(8-10-19)20(24)13-17-12-18(23)14-22(17)21(25)11-15-5-3-2-4-6-15/h2-10,17-18,23H,11-14H2,1H3/t17?,18-/m1/s1.
What are the key properties of 2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone?
2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone has a molecular weight of 353.42 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 73347534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).