1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid

C11H14N2O3S — CID 43355516

IUPAC1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCc1nc(CC(=O)N2CCCC2C(=O)O)cs1
InChIInChI=1S/C11H14N2O3S/c1-7-12-8(6-17-7)5-10(14)13-4-2-3-9(13)11(15)16/h6,9H,2-5H2,1H3,(H,15,16)
InChIKeyWCKJPFVRTCKVID-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.07
Rot. Bonds3

About 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid

1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 43355516) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID43355516
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCc1nc(CC(=O)N2CCCC2C(=O)O)cs1
InChIInChI=1S/C11H14N2O3S/c1-7-12-8(6-17-7)5-10(14)13-4-2-3-9(13)11(15)16/h6,9H,2-5H2,1H3,(H,15,16)
InChIKeyWCKJPFVRTCKVID-UHFFFAOYSA-N
XLogP1.07
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid (CID 43355516) is 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid is Cc1nc(CC(=O)N2CCCC2C(=O)O)cs1.
What is the InChIKey of 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WCKJPFVRTCKVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-7-12-8(6-17-7)5-10(14)13-4-2-3-9(13)11(15)16/h6,9H,2-5H2,1H3,(H,15,16).
What are the key properties of 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid?
1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43355516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).