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

C11H14N2O3S — CID 61136579

IUPAC(2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCc1nc(CC(=O)N2CCC[C@H]2C(=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)/t9-/m0/s1
InChIKeyWCKJPFVRTCKVID-VIFPVBQESA-N
MW254.31 g/mol
LogP1.07
Rot. Bonds3

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

(2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 61136579) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is (2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID61136579
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name(2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCc1nc(CC(=O)N2CCC[C@H]2C(=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)/t9-/m0/s1
InChIKeyWCKJPFVRTCKVID-VIFPVBQESA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid (CID 61136579) is (2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid is Cc1nc(CC(=O)N2CCC[C@H]2C(=O)O)cs1.
What is the InChIKey of (2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WCKJPFVRTCKVID-VIFPVBQESA-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)/t9-/m0/s1.
What are the key properties of (2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid?
(2S)-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 (2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61136579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).