(3R)-3-methyl-1-(4-methylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid

C12H15NO3S — CID 129372873

IUPAC(3R)-3-methyl-1-(4-methylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1cscc1C(=O)N1CC[C@@](C)(C(=O)O)C1
InChIInChI=1S/C12H15NO3S/c1-8-5-17-6-9(8)10(14)13-4-3-12(2,7-13)11(15)16/h5-6H,3-4,7H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyQIFJQEXFVDXFQZ-GFCCVEGCSA-N
MW253.32 g/mol
LogP1.99
Rot. Bonds2

About (3R)-3-methyl-1-(4-methylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid

(3R)-3-methyl-1-(4-methylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 129372873) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is (3R)-3-methyl-1-(4-methylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-methyl-1-(4-methylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID129372873
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name(3R)-3-methyl-1-(4-methylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1cscc1C(=O)N1CC[C@@](C)(C(=O)O)C1
InChIInChI=1S/C12H15NO3S/c1-8-5-17-6-9(8)10(14)13-4-3-12(2,7-13)11(15)16/h5-6H,3-4,7H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyQIFJQEXFVDXFQZ-GFCCVEGCSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-(4-methylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-3-methyl-1-(4-methylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 129372873) is (3R)-3-methyl-1-(4-methylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-methyl-1-(4-methylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-methyl-1-(4-methylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid is Cc1cscc1C(=O)N1CC[C@@](C)(C(=O)O)C1.
What is the InChIKey of (3R)-3-methyl-1-(4-methylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is QIFJQEXFVDXFQZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-8-5-17-6-9(8)10(14)13-4-3-12(2,7-13)11(15)16/h5-6H,3-4,7H2,1-2H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (3R)-3-methyl-1-(4-methylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid?
(3R)-3-methyl-1-(4-methylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 253.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-(4-methylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 129372873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).