ethyl (2R)-2-hydroxy-2-phenyl-2-(1H-pyrrol-2-yl)acetate

C14H15NO3 — CID 53467896

IUPACethyl (2R)-2-hydroxy-2-phenyl-2-(1H-pyrrol-2-yl)acetate
SMILESCCOC(=O)[C@@](O)(c1ccccc1)c1ccc[nH]1
InChIInChI=1S/C14H15NO3/c1-2-18-13(16)14(17,12-9-6-10-15-12)11-7-4-3-5-8-11/h3-10,15,17H,2H2,1H3/t14-/m1/s1
InChIKeyVSTZRKNNQOBBRF-CQSZACIVSA-N
MW245.28 g/mol
LogP1.81
Rot. Bonds4

About ethyl (2R)-2-hydroxy-2-phenyl-2-(1H-pyrrol-2-yl)acetate

ethyl (2R)-2-hydroxy-2-phenyl-2-(1H-pyrrol-2-yl)acetate (PubChem CID 53467896) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl (2R)-2-hydroxy-2-phenyl-2-(1H-pyrrol-2-yl)acetate.

Molecular Properties

Compound Nameethyl (2R)-2-hydroxy-2-phenyl-2-(1H-pyrrol-2-yl)acetate
PubChem CID53467896
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Nameethyl (2R)-2-hydroxy-2-phenyl-2-(1H-pyrrol-2-yl)acetate
SMILESCCOC(=O)[C@@](O)(c1ccccc1)c1ccc[nH]1
InChIInChI=1S/C14H15NO3/c1-2-18-13(16)14(17,12-9-6-10-15-12)11-7-4-3-5-8-11/h3-10,15,17H,2H2,1H3/t14-/m1/s1
InChIKeyVSTZRKNNQOBBRF-CQSZACIVSA-N
XLogP1.81
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-hydroxy-2-phenyl-2-(1H-pyrrol-2-yl)acetate?
The IUPAC name of ethyl (2R)-2-hydroxy-2-phenyl-2-(1H-pyrrol-2-yl)acetate (CID 53467896) is ethyl (2R)-2-hydroxy-2-phenyl-2-(1H-pyrrol-2-yl)acetate.
What is the SMILES notation for ethyl (2R)-2-hydroxy-2-phenyl-2-(1H-pyrrol-2-yl)acetate?
The canonical SMILES for ethyl (2R)-2-hydroxy-2-phenyl-2-(1H-pyrrol-2-yl)acetate is CCOC(=O)[C@@](O)(c1ccccc1)c1ccc[nH]1.
What is the InChIKey of ethyl (2R)-2-hydroxy-2-phenyl-2-(1H-pyrrol-2-yl)acetate?
The InChIKey is VSTZRKNNQOBBRF-CQSZACIVSA-N. The full InChI is InChI=1S/C14H15NO3/c1-2-18-13(16)14(17,12-9-6-10-15-12)11-7-4-3-5-8-11/h3-10,15,17H,2H2,1H3/t14-/m1/s1.
What are the key properties of ethyl (2R)-2-hydroxy-2-phenyl-2-(1H-pyrrol-2-yl)acetate?
ethyl (2R)-2-hydroxy-2-phenyl-2-(1H-pyrrol-2-yl)acetate has a molecular weight of 245.28 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-hydroxy-2-phenyl-2-(1H-pyrrol-2-yl)acetate is sourced from PubChem (CID 53467896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).