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

C14H20N2O3S — CID 106982484

IUPAC1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCc1nc(CC(=O)N2CCC(C(=O)O)(C(C)C)C2)cs1
InChIInChI=1S/C14H20N2O3S/c1-9(2)14(13(18)19)4-5-16(8-14)12(17)6-11-7-20-10(3)15-11/h7,9H,4-6,8H2,1-3H3,(H,18,19)
InChIKeyZBFMULWFHNEJDL-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.95
Rot. Bonds4

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

1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106982484) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106982484
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCc1nc(CC(=O)N2CCC(C(=O)O)(C(C)C)C2)cs1
InChIInChI=1S/C14H20N2O3S/c1-9(2)14(13(18)19)4-5-16(8-14)12(17)6-11-7-20-10(3)15-11/h7,9H,4-6,8H2,1-3H3,(H,18,19)
InChIKeyZBFMULWFHNEJDL-UHFFFAOYSA-N
XLogP1.95
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981515
1-[2-(4-bromophenyl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982759
(2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide
CID 125020200
1-[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 45171451
1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257378
(5S)-7-(cyclopropylmethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97153213
3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 106982425
2-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 78803722
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 111456878
(3R)-3-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 99815343
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 94180394
4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 47101126

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106982484) is 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is Cc1nc(CC(=O)N2CCC(C(=O)O)(C(C)C)C2)cs1.
What is the InChIKey of 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is ZBFMULWFHNEJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9(2)14(13(18)19)4-5-16(8-14)12(17)6-11-7-20-10(3)15-11/h7,9H,4-6,8H2,1-3H3,(H,18,19).
What are the key properties of 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 1.95, 4 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]-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106982484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).