5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid

C10H13NO2S — CID 112693441

IUPAC5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid
SMILESCc1ccsc1C1CCC(C(=O)O)N1
InChIInChI=1S/C10H13NO2S/c1-6-4-5-14-9(6)7-2-3-8(11-7)10(12)13/h4-5,7-8,11H,2-3H2,1H3,(H,12,13)
InChIKeyVSOWFWAWYWVEEK-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.93
Rot. Bonds2

About 5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid

5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 112693441) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID112693441
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid
SMILESCc1ccsc1C1CCC(C(=O)O)N1
InChIInChI=1S/C10H13NO2S/c1-6-4-5-14-9(6)7-2-3-8(11-7)10(12)13/h4-5,7-8,11H,2-3H2,1H3,(H,12,13)
InChIKeyVSOWFWAWYWVEEK-UHFFFAOYSA-N
XLogP1.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid (CID 112693441) is 5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid is Cc1ccsc1C1CCC(C(=O)O)N1.
What is the InChIKey of 5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is VSOWFWAWYWVEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-6-4-5-14-9(6)7-2-3-8(11-7)10(12)13/h4-5,7-8,11H,2-3H2,1H3,(H,12,13).
What are the key properties of 5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid?
5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 211.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 112693441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).