ethyl 2-phenyl-3-pyrrolidin-1-ylpropanoate

C15H21NO2 — CID 4263366

IUPACethyl 2-phenyl-3-pyrrolidin-1-ylpropanoate
SMILESCCOC(=O)C(CN1CCCC1)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-2-18-15(17)14(12-16-10-6-7-11-16)13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3
InChIKeySUBVPVUFHAMSSE-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.43
Rot. Bonds5

About ethyl 2-phenyl-3-pyrrolidin-1-ylpropanoate

ethyl 2-phenyl-3-pyrrolidin-1-ylpropanoate (PubChem CID 4263366) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl 2-phenyl-3-pyrrolidin-1-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-phenyl-3-pyrrolidin-1-ylpropanoate
PubChem CID4263366
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl 2-phenyl-3-pyrrolidin-1-ylpropanoate
SMILESCCOC(=O)C(CN1CCCC1)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-2-18-15(17)14(12-16-10-6-7-11-16)13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3
InChIKeySUBVPVUFHAMSSE-UHFFFAOYSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-3-pyrrolidin-1-ylpropanoate?
The IUPAC name of ethyl 2-phenyl-3-pyrrolidin-1-ylpropanoate (CID 4263366) is ethyl 2-phenyl-3-pyrrolidin-1-ylpropanoate.
What is the SMILES notation for ethyl 2-phenyl-3-pyrrolidin-1-ylpropanoate?
The canonical SMILES for ethyl 2-phenyl-3-pyrrolidin-1-ylpropanoate is CCOC(=O)C(CN1CCCC1)c1ccccc1.
What is the InChIKey of ethyl 2-phenyl-3-pyrrolidin-1-ylpropanoate?
The InChIKey is SUBVPVUFHAMSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-18-15(17)14(12-16-10-6-7-11-16)13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3.
What are the key properties of ethyl 2-phenyl-3-pyrrolidin-1-ylpropanoate?
ethyl 2-phenyl-3-pyrrolidin-1-ylpropanoate has a molecular weight of 247.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-3-pyrrolidin-1-ylpropanoate is sourced from PubChem (CID 4263366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).