1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid

C11H14ClNO2S — CID 65056478

IUPAC1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid
SMILESCC(c1ccc(Cl)s1)N1CCCC1C(=O)O
InChIInChI=1S/C11H14ClNO2S/c1-7(9-4-5-10(12)16-9)13-6-2-3-8(13)11(14)15/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)
InChIKeyPFICFLFHMFQDGJ-UHFFFAOYSA-N
MW259.76 g/mol
LogP3.01
Rot. Bonds3

About 1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid

1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 65056478) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID65056478
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid
SMILESCC(c1ccc(Cl)s1)N1CCCC1C(=O)O
InChIInChI=1S/C11H14ClNO2S/c1-7(9-4-5-10(12)16-9)13-6-2-3-8(13)11(14)15/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)
InChIKeyPFICFLFHMFQDGJ-UHFFFAOYSA-N
XLogP3.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 3972842
1-[(2-chlorophenyl)-(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 5107059
methyl 1-[1-(5-chlorothiophen-2-yl)ethyl]azetidine-2-carboxylate
CID 112581265
1-[(5-chlorothiophen-2-yl)-pyridin-2-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3521832
1-[(5-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 3924758
1-[(5-chlorothiophen-2-yl)-thiophen-3-ylmethyl]piperidine-2-carboxylic acid
CID 5179677
1-[(5-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3880859
1-(1-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
CID 3510647
1-[(5-chlorothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4679089
1-[1-(2-chloro-4-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 65056523
(2S)-1-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 110838455
1-[1-[4-(dimethylamino)phenyl]ethyl]pyrrolidine-2-carboxylic acid
CID 65056078

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid (CID 65056478) is 1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid is CC(c1ccc(Cl)s1)N1CCCC1C(=O)O.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is PFICFLFHMFQDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-7(9-4-5-10(12)16-9)13-6-2-3-8(13)11(14)15/h4-5,7-8H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid?
1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 259.76 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65056478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).