ethyl (2R)-2-(5-ethyl-1H-pyrrol-2-yl)-2-hydroxy-2-phenylacetate

C16H19NO3 — CID 53468129

IUPACethyl (2R)-2-(5-ethyl-1H-pyrrol-2-yl)-2-hydroxy-2-phenylacetate
SMILESCCOC(=O)[C@@](O)(c1ccccc1)c1ccc(CC)[nH]1
InChIInChI=1S/C16H19NO3/c1-3-13-10-11-14(17-13)16(19,15(18)20-4-2)12-8-6-5-7-9-12/h5-11,17,19H,3-4H2,1-2H3/t16-/m1/s1
InChIKeyWCKNWOJXIIGSKX-MRXNPFEDSA-N
MW273.33 g/mol
LogP2.38
Rot. Bonds5

About ethyl (2R)-2-(5-ethyl-1H-pyrrol-2-yl)-2-hydroxy-2-phenylacetate

ethyl (2R)-2-(5-ethyl-1H-pyrrol-2-yl)-2-hydroxy-2-phenylacetate (PubChem CID 53468129) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl (2R)-2-(5-ethyl-1H-pyrrol-2-yl)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Nameethyl (2R)-2-(5-ethyl-1H-pyrrol-2-yl)-2-hydroxy-2-phenylacetate
PubChem CID53468129
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Nameethyl (2R)-2-(5-ethyl-1H-pyrrol-2-yl)-2-hydroxy-2-phenylacetate
SMILESCCOC(=O)[C@@](O)(c1ccccc1)c1ccc(CC)[nH]1
InChIInChI=1S/C16H19NO3/c1-3-13-10-11-14(17-13)16(19,15(18)20-4-2)12-8-6-5-7-9-12/h5-11,17,19H,3-4H2,1-2H3/t16-/m1/s1
InChIKeyWCKNWOJXIIGSKX-MRXNPFEDSA-N
XLogP2.38
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl alpha-hydroxy-2-methyl-alpha-(trifluoromethyl)-1H-indole-3-acetate
CID 4126068
ethyl 3-(3,5-dimethyl-1H-pyrrol-2-yl)-4,4,4-trifluoro-3-hydroxybutanoate
CID 23237343
Ethyl 3,3,3-trifluoro-2-hydroxy-2-(2-methyl-1H-indol-3-yl)propanoate
CID 4126069
5-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid
CID 82397337
ethyl 2-(2-ethyl-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxypropanoate
CID 135003503
4-pentyl-5-phenyl-1H-pyrrole-2-carboxylic Acid
CID 5112076
ethyl (2R)-2-hydroxy-2-(1H-indol-2-yl)-2-phenylacetate
CID 53467683
ethyl (2R)-2-hydroxy-2-phenyl-2-(1H-pyrrol-2-yl)acetate
CID 53467896
ethyl (2R)-2-hydroxy-2-(4-methylphenyl)-2-(1H-pyrrol-2-yl)acetate
CID 53467901
ethyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-(1H-pyrrol-2-yl)acetate
CID 53468121
ethyl (2R)-2-hydroxy-2-naphthalen-2-yl-2-(1H-pyrrol-2-yl)acetate
CID 53468125
2-hydroxy-2-(1H-indol-2-yl)acetic acid
CID 19833060

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(5-ethyl-1H-pyrrol-2-yl)-2-hydroxy-2-phenylacetate?
The IUPAC name of ethyl (2R)-2-(5-ethyl-1H-pyrrol-2-yl)-2-hydroxy-2-phenylacetate (CID 53468129) is ethyl (2R)-2-(5-ethyl-1H-pyrrol-2-yl)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for ethyl (2R)-2-(5-ethyl-1H-pyrrol-2-yl)-2-hydroxy-2-phenylacetate?
The canonical SMILES for ethyl (2R)-2-(5-ethyl-1H-pyrrol-2-yl)-2-hydroxy-2-phenylacetate is CCOC(=O)[C@@](O)(c1ccccc1)c1ccc(CC)[nH]1.
What is the InChIKey of ethyl (2R)-2-(5-ethyl-1H-pyrrol-2-yl)-2-hydroxy-2-phenylacetate?
The InChIKey is WCKNWOJXIIGSKX-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-13-10-11-14(17-13)16(19,15(18)20-4-2)12-8-6-5-7-9-12/h5-11,17,19H,3-4H2,1-2H3/t16-/m1/s1.
What are the key properties of ethyl (2R)-2-(5-ethyl-1H-pyrrol-2-yl)-2-hydroxy-2-phenylacetate?
ethyl (2R)-2-(5-ethyl-1H-pyrrol-2-yl)-2-hydroxy-2-phenylacetate has a molecular weight of 273.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(5-ethyl-1H-pyrrol-2-yl)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 53468129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).