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

C14H18ClNO2 — CID 162420045

IUPACethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate
SMILESCCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C14H18ClNO2/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
InChIKeyICRZRHYSNYXPFZ-CYBMUJFWSA-N
MW267.76 g/mol
LogP3.04
Rot. Bonds4

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

ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate (PubChem CID 162420045) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate.

Molecular Properties

Compound Nameethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate
PubChem CID162420045
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Nameethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate
SMILESCCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C14H18ClNO2/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
InChIKeyICRZRHYSNYXPFZ-CYBMUJFWSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-(4-chlorophenyl)-2-[4-[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]piperazin-1-yl]acetate
CID 30724585
1-(4-chlorophenyl)-1-pyrrolidin-1-ylpropan-2-one
CID 70539121
ethyl (2R)-2-(4-chlorophenyl)-2-[4-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetate
CID 30723639
ethyl 2-(4-chlorophenyl)-2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetate
CID 24560558
ethyl (2S)-2-(4-chlorophenyl)-2-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]acetate
CID 32520506
ethyl (2S)-2-(4-chlorophenyl)-2-[4-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetate
CID 30723646
ethyl 2-(4-chlorophenyl)-2-[4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetate
CID 42939526
ethyl 2-(3-methylphenyl)-2-piperidin-1-ylacetate
CID 154339039
propyl (2S)-2-phenyl-2-piperidin-1-ylacetate
CID 97355368
ethyl 2-[4-[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]piperazin-1-yl]-2-(4-chlorophenyl)acetate
CID 42925972
ethyl 2-(4-methyl-1,4-diazepan-1-yl)-2-phenylacetate
CID 103600878
ethyl 2-(4-bromophenyl)-2-(1,4-diazepan-1-yl)acetate
CID 60992975

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate?
The IUPAC name of ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate (CID 162420045) is ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate.
What is the SMILES notation for ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate?
The canonical SMILES for ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate is CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate?
The InChIKey is ICRZRHYSNYXPFZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18ClNO2/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-chlorophenyl)-2-pyrrolidin-1-ylacetate?
ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate has a molecular weight of 267.76 g/mol, XLogP of 3.04, 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-chlorophenyl)-2-pyrrolidin-1-ylacetate is sourced from PubChem (CID 162420045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).