5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid

C13H18N2O3S — CID 50959352

IUPAC5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)c1nc(CCN2CC(C(=O)O)CC2=O)cs1
InChIInChI=1S/C13H18N2O3S/c1-8(2)12-14-10(7-19-12)3-4-15-6-9(13(17)18)5-11(15)16/h7-9H,3-6H2,1-2H3,(H,17,18)
InChIKeyBLKMMUFEWANAKU-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.74
Rot. Bonds5

About 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid

5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 50959352) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID50959352
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)c1nc(CCN2CC(C(=O)O)CC2=O)cs1
InChIInChI=1S/C13H18N2O3S/c1-8(2)12-14-10(7-19-12)3-4-15-6-9(13(17)18)5-11(15)16/h7-9H,3-6H2,1-2H3,(H,17,18)
InChIKeyBLKMMUFEWANAKU-UHFFFAOYSA-N
XLogP1.74
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-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

Related Compounds

methyl 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylate
CID 168693012
(3S)-5-oxo-1-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 95128901
(3S)-1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 95138021
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 83192523
(3R)-1-cyclopentyl-5-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 97119490
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
4-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122000069
(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 972679
(3S)-5-oxo-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 95123541
(3R)-5-oxo-1-[2-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 95147392
1-(4-amino-3-methyl-4-oxobutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 70114955
1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690171

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid (CID 50959352) is 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid is CC(C)c1nc(CCN2CC(C(=O)O)CC2=O)cs1.
What is the InChIKey of 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is BLKMMUFEWANAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-8(2)12-14-10(7-19-12)3-4-15-6-9(13(17)18)5-11(15)16/h7-9H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid?
5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 282.36 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 50959352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).