ethyl 2-phenyl-2-pyrrolidin-1-ylacetate

C14H19NO2 — CID 3568733

IUPACethyl 2-phenyl-2-pyrrolidin-1-ylacetate
SMILESCCOC(=O)C(c1ccccc1)N1CCCC1
InChIInChI=1S/C14H19NO2/c1-2-17-14(16)13(15-10-6-7-11-15)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3
InChIKeyBRKVSODCYOELNX-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.39
Rot. Bonds4

About ethyl 2-phenyl-2-pyrrolidin-1-ylacetate

ethyl 2-phenyl-2-pyrrolidin-1-ylacetate (PubChem CID 3568733) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 2-phenyl-2-pyrrolidin-1-ylacetate.

Molecular Properties

Compound Nameethyl 2-phenyl-2-pyrrolidin-1-ylacetate
PubChem CID3568733
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl 2-phenyl-2-pyrrolidin-1-ylacetate
SMILESCCOC(=O)C(c1ccccc1)N1CCCC1
InChIInChI=1S/C14H19NO2/c1-2-17-14(16)13(15-10-6-7-11-15)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3
InChIKeyBRKVSODCYOELNX-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Camylofin
CID 5902
2-(Diethylamino)ethyl alpha-phenyl-1-piperidineacetate
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(4-Methyl-piperidin-1-YL)-phenyl-acetic acid hydrochloride
CID 16192951
2-(Diethylamino)ethyl benzeneacetate
CID 17389
Acetic acid, phenyl-, 2-(dimethylamino)ethyl ester
CID 37566
Methyl N,N-dibenzyl-L-phenylalaninate
CID 15297227
2-Phenyl-2-(piperidin-1-yl)acetic acid hydrochloride
CID 16189437
(1,1-Dimethylpiperidin-1-ium-4-yl) 2-phenyl-2-pyrrolidin-1-ylpropanoate
CID 24988273
(1-Methylpiperidin-4-yl) 2-phenyl-2-pyrrolidin-1-ylpropanoate
CID 57400423
Phenylalanine betaine
CID 16745393
Piprocurarium Iodide
CID 24418

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-2-pyrrolidin-1-ylacetate?
The IUPAC name of ethyl 2-phenyl-2-pyrrolidin-1-ylacetate (CID 3568733) is ethyl 2-phenyl-2-pyrrolidin-1-ylacetate.
What is the SMILES notation for ethyl 2-phenyl-2-pyrrolidin-1-ylacetate?
The canonical SMILES for ethyl 2-phenyl-2-pyrrolidin-1-ylacetate is CCOC(=O)C(c1ccccc1)N1CCCC1.
What is the InChIKey of ethyl 2-phenyl-2-pyrrolidin-1-ylacetate?
The InChIKey is BRKVSODCYOELNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-17-14(16)13(15-10-6-7-11-15)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3.
What are the key properties of ethyl 2-phenyl-2-pyrrolidin-1-ylacetate?
ethyl 2-phenyl-2-pyrrolidin-1-ylacetate has a molecular weight of 233.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-2-pyrrolidin-1-ylacetate is sourced from PubChem (CID 3568733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).