ethyl (3S)-3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoate

C15H19NO3 — CID 134951164

IUPACethyl (3S)-3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoate
SMILESCCOC(=O)C[C@@H](c1ccccc1)N1CCCC1=O
InChIInChI=1S/C15H19NO3/c1-2-19-15(18)11-13(12-7-4-3-5-8-12)16-10-6-9-14(16)17/h3-5,7-8,13H,2,6,9-11H2,1H3/t13-/m0/s1
InChIKeyDXPCADNQRAFWBK-ZDUSSCGKSA-N
MW261.32 g/mol
LogP2.30
Rot. Bonds5

About ethyl (3S)-3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoate

ethyl (3S)-3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoate (PubChem CID 134951164) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl (3S)-3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (3S)-3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoate
PubChem CID134951164
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nameethyl (3S)-3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoate
SMILESCCOC(=O)C[C@@H](c1ccccc1)N1CCCC1=O
InChIInChI=1S/C15H19NO3/c1-2-19-15(18)11-13(12-7-4-3-5-8-12)16-10-6-9-14(16)17/h3-5,7-8,13H,2,6,9-11H2,1H3/t13-/m0/s1
InChIKeyDXPCADNQRAFWBK-ZDUSSCGKSA-N
XLogP2.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoate?
The IUPAC name of ethyl (3S)-3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoate (CID 134951164) is ethyl (3S)-3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoate.
What is the SMILES notation for ethyl (3S)-3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoate?
The canonical SMILES for ethyl (3S)-3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoate is CCOC(=O)C[C@@H](c1ccccc1)N1CCCC1=O.
What is the InChIKey of ethyl (3S)-3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoate?
The InChIKey is DXPCADNQRAFWBK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-19-15(18)11-13(12-7-4-3-5-8-12)16-10-6-9-14(16)17/h3-5,7-8,13H,2,6,9-11H2,1H3/t13-/m0/s1.
What are the key properties of ethyl (3S)-3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoate?
ethyl (3S)-3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoate has a molecular weight of 261.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoate is sourced from PubChem (CID 134951164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).