(2R)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid

C13H17NO3S — CID 78922097

IUPAC(2R)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCc1cc(C(=O)N2CCC[C@@H]2C(=O)O)sc1C
InChIInChI=1S/C13H17NO3S/c1-3-9-7-11(18-8(9)2)12(15)14-6-4-5-10(14)13(16)17/h7,10H,3-6H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyOOOSETDBIUIFPI-SNVBAGLBSA-N
MW267.35 g/mol
LogP2.31
Rot. Bonds3

About (2R)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 78922097) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is (2R)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID78922097
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name(2R)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCc1cc(C(=O)N2CCC[C@@H]2C(=O)O)sc1C
InChIInChI=1S/C13H17NO3S/c1-3-9-7-11(18-8(9)2)12(15)14-6-4-5-10(14)13(16)17/h7,10H,3-6H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyOOOSETDBIUIFPI-SNVBAGLBSA-N
XLogP2.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 78922097) is (2R)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid is CCc1cc(C(=O)N2CCC[C@@H]2C(=O)O)sc1C.
What is the InChIKey of (2R)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is OOOSETDBIUIFPI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-3-9-7-11(18-8(9)2)12(15)14-6-4-5-10(14)13(16)17/h7,10H,3-6H2,1-2H3,(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 267.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).