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

C13H19N3O3S — CID 106981515

IUPAC1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C(=O)Cc2csc(N)n2)C1
InChIInChI=1S/C13H19N3O3S/c1-8(2)13(11(18)19)3-4-16(7-13)10(17)5-9-6-20-12(14)15-9/h6,8H,3-5,7H2,1-2H3,(H2,14,15)(H,18,19)
InChIKeyIFGOHWPQAXXTHP-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.23
Rot. Bonds4

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

1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106981515) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106981515
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C(=O)Cc2csc(N)n2)C1
InChIInChI=1S/C13H19N3O3S/c1-8(2)13(11(18)19)3-4-16(7-13)10(17)5-9-6-20-12(14)15-9/h6,8H,3-5,7H2,1-2H3,(H2,14,15)(H,18,19)
InChIKeyIFGOHWPQAXXTHP-UHFFFAOYSA-N
XLogP1.23
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982484
1-[2-(4-bromophenyl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982759
2-(2-amino-1,3-thiazol-4-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone
CID 62797698
2-(2-amino-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62798738
4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-1-methylpiperazin-2-one
CID 64682031
1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257378
3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 106982425
1-[2-(1-aminocyclohexyl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981575
(3R)-3-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 99815343
4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 62795384
1-[2-(tert-butylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981561
2-(2-amino-1,3-thiazol-4-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 66371406

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106981515) is 1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)C1(C(=O)O)CCN(C(=O)Cc2csc(N)n2)C1.
What is the InChIKey of 1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is IFGOHWPQAXXTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-8(2)13(11(18)19)3-4-16(7-13)10(17)5-9-6-20-12(14)15-9/h6,8H,3-5,7H2,1-2H3,(H2,14,15)(H,18,19).
What are the key properties of 1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106981515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).