ethyl (2R)-2-(4-bromophenyl)-2-pyrrolidin-1-ylacetate

C14H18BrNO2 — CID 162420181

IUPACethyl (2R)-2-(4-bromophenyl)-2-pyrrolidin-1-ylacetate
SMILESCCOC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1
InChIInChI=1S/C14H18BrNO2/c1-2-18-14(17)13(16-9-3-4-10-16)11-5-7-12(15)8-6-11/h5-8,13H,2-4,9-10H2,1H3/t13-/m1/s1
InChIKeyLEJOFBBEJOCCTA-CYBMUJFWSA-N
MW312.21 g/mol
LogP3.15
Rot. Bonds4

About ethyl (2R)-2-(4-bromophenyl)-2-pyrrolidin-1-ylacetate

ethyl (2R)-2-(4-bromophenyl)-2-pyrrolidin-1-ylacetate (PubChem CID 162420181) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is ethyl (2R)-2-(4-bromophenyl)-2-pyrrolidin-1-ylacetate.

Molecular Properties

Compound Nameethyl (2R)-2-(4-bromophenyl)-2-pyrrolidin-1-ylacetate
PubChem CID162420181
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Nameethyl (2R)-2-(4-bromophenyl)-2-pyrrolidin-1-ylacetate
SMILESCCOC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1
InChIInChI=1S/C14H18BrNO2/c1-2-18-14(17)13(16-9-3-4-10-16)11-5-7-12(15)8-6-11/h5-8,13H,2-4,9-10H2,1H3/t13-/m1/s1
InChIKeyLEJOFBBEJOCCTA-CYBMUJFWSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl (2R)-2-(4-bromophenyl)-2-pyrrolidin-1-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-phenyl-2-(pyrrolidin-1-yl)acetate
CID 22449911
Ethyl alpha-phenyl-1-piperidineacetate
CID 202135
Morpholinium, 4,4-diethyl-2-oxo-3-phenyl-, bromide
CID 200982
1-Piperidineacetic acid, alpha-phenyl-, ethyl ester, hydrochloride
CID 211029
Ammonium, (alpha-carboxybenzyl)trimethyl-, bromide, ethyl ester
CID 24832947
Methyl 2-amino-2-(4-bromophenyl)acetate hydrochloride
CID 2764322
Methyl 2-(4-bromophenyl)-2-((tert-butoxycarbonyl)amino)acetate
CID 45026986
Ethyl 1-(4-bromobenzyl)-2-piperidinecarboxylate
CID 2838481
Ethyl 2-(dimethylamino)-2-phenylacetate
CID 230084
ethyl (2R,3R)-1-benzhydryl-3-(4-bromophenyl)aziridine-2-carboxylate
CID 11373951
2-(4-Bromophenyl)-2-(pyrrolidin-1-yl)acetic acid
CID 43803533
Methyl 2-(4-bromophenyl)-2-(methylamino)propanoate
CID 54594474

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(4-bromophenyl)-2-pyrrolidin-1-ylacetate?
The IUPAC name of ethyl (2R)-2-(4-bromophenyl)-2-pyrrolidin-1-ylacetate (CID 162420181) is ethyl (2R)-2-(4-bromophenyl)-2-pyrrolidin-1-ylacetate.
What is the SMILES notation for ethyl (2R)-2-(4-bromophenyl)-2-pyrrolidin-1-ylacetate?
The canonical SMILES for ethyl (2R)-2-(4-bromophenyl)-2-pyrrolidin-1-ylacetate is CCOC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1.
What is the InChIKey of ethyl (2R)-2-(4-bromophenyl)-2-pyrrolidin-1-ylacetate?
The InChIKey is LEJOFBBEJOCCTA-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-2-18-14(17)13(16-9-3-4-10-16)11-5-7-12(15)8-6-11/h5-8,13H,2-4,9-10H2,1H3/t13-/m1/s1.
What are the key properties of ethyl (2R)-2-(4-bromophenyl)-2-pyrrolidin-1-ylacetate?
ethyl (2R)-2-(4-bromophenyl)-2-pyrrolidin-1-ylacetate has a molecular weight of 312.21 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(4-bromophenyl)-2-pyrrolidin-1-ylacetate is sourced from PubChem (CID 162420181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).