ethyl (2R)-2-fluoro-1-(2-oxo-3-phenyl-3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylate

C23H24FNO5 — CID 70044612

IUPACethyl (2R)-2-fluoro-1-(2-oxo-3-phenyl-3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@]1(F)CCCN1C(=O)C(=O)C(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H24FNO5/c1-2-29-22(28)23(24)14-9-15-25(23)21(27)19(26)20(18-12-7-4-8-13-18)30-16-17-10-5-3-6-11-17/h3-8,10-13,20H,2,9,14-16H2,1H3/t20?,23-/m0/s1
InChIKeyCVPAQFKPRNIUEV-AKRCKQFNSA-N
MW413.45 g/mol
LogP3.36
Rot. Bonds8

About ethyl (2R)-2-fluoro-1-(2-oxo-3-phenyl-3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylate

ethyl (2R)-2-fluoro-1-(2-oxo-3-phenyl-3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylate (PubChem CID 70044612) has the molecular formula C23H24FNO5 and a molecular weight of 413.45 g/mol. Its IUPAC name is ethyl (2R)-2-fluoro-1-(2-oxo-3-phenyl-3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-2-fluoro-1-(2-oxo-3-phenyl-3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylate
PubChem CID70044612
Molecular FormulaC23H24FNO5
Molecular Weight413.45 g/mol
Exact Mass413.16
IUPAC Nameethyl (2R)-2-fluoro-1-(2-oxo-3-phenyl-3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@]1(F)CCCN1C(=O)C(=O)C(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H24FNO5/c1-2-29-22(28)23(24)14-9-15-25(23)21(27)19(26)20(18-12-7-4-8-13-18)30-16-17-10-5-3-6-11-17/h3-8,10-13,20H,2,9,14-16H2,1H3/t20?,23-/m0/s1
InChIKeyCVPAQFKPRNIUEV-AKRCKQFNSA-N
XLogP3.36
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-fluoro-1-(2-oxo-3-phenyl-3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2R)-2-fluoro-1-(2-oxo-3-phenyl-3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylate (CID 70044612) is ethyl (2R)-2-fluoro-1-(2-oxo-3-phenyl-3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-2-fluoro-1-(2-oxo-3-phenyl-3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2R)-2-fluoro-1-(2-oxo-3-phenyl-3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylate is CCOC(=O)[C@]1(F)CCCN1C(=O)C(=O)C(OCc1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (2R)-2-fluoro-1-(2-oxo-3-phenyl-3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylate?
The InChIKey is CVPAQFKPRNIUEV-AKRCKQFNSA-N. The full InChI is InChI=1S/C23H24FNO5/c1-2-29-22(28)23(24)14-9-15-25(23)21(27)19(26)20(18-12-7-4-8-13-18)30-16-17-10-5-3-6-11-17/h3-8,10-13,20H,2,9,14-16H2,1H3/t20?,23-/m0/s1.
What are the key properties of ethyl (2R)-2-fluoro-1-(2-oxo-3-phenyl-3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylate?
ethyl (2R)-2-fluoro-1-(2-oxo-3-phenyl-3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylate has a molecular weight of 413.45 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-fluoro-1-(2-oxo-3-phenyl-3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 70044612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).