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

C15H21N3O4S — CID 23968193

IUPAC1-[2-[2-(3-methylbutanoylamino)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)CC(=O)Nc1nc(CC(=O)N2CCCC2C(=O)O)cs1
InChIInChI=1S/C15H21N3O4S/c1-9(2)6-12(19)17-15-16-10(8-23-15)7-13(20)18-5-3-4-11(18)14(21)22/h8-9,11H,3-7H2,1-2H3,(H,21,22)(H,16,17,19)
InChIKeyCGAZJDJYXYWEFP-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.75
Rot. Bonds6

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

1-[2-[2-(3-methylbutanoylamino)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 23968193) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-[2-[2-(3-methylbutanoylamino)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-(3-methylbutanoylamino)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
PubChem CID23968193
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name1-[2-[2-(3-methylbutanoylamino)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)CC(=O)Nc1nc(CC(=O)N2CCCC2C(=O)O)cs1
InChIInChI=1S/C15H21N3O4S/c1-9(2)6-12(19)17-15-16-10(8-23-15)7-13(20)18-5-3-4-11(18)14(21)22/h8-9,11H,3-7H2,1-2H3,(H,21,22)(H,16,17,19)
InChIKeyCGAZJDJYXYWEFP-UHFFFAOYSA-N
XLogP1.75
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[2-(3-methylbutanoylamino)-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

Related Compounds

1-[2-[2-[(3,5-dichlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 23740363
1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 43355974
(2R)-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119371423
(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 10535993
(2R)-1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 79034814
(2R,3R)-1-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122116412
1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119355602
1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 119175967
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 43140266
1-[2-[(2-methoxyacetyl)amino]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 82033329
(2S)-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 94640469
1-[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119356217

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-methylbutanoylamino)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-[2-(3-methylbutanoylamino)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid (CID 23968193) is 1-[2-[2-(3-methylbutanoylamino)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[2-(3-methylbutanoylamino)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[2-(3-methylbutanoylamino)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid is CC(C)CC(=O)Nc1nc(CC(=O)N2CCCC2C(=O)O)cs1.
What is the InChIKey of 1-[2-[2-(3-methylbutanoylamino)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is CGAZJDJYXYWEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-9(2)6-12(19)17-15-16-10(8-23-15)7-13(20)18-5-3-4-11(18)14(21)22/h8-9,11H,3-7H2,1-2H3,(H,21,22)(H,16,17,19).
What are the key properties of 1-[2-[2-(3-methylbutanoylamino)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid?
1-[2-[2-(3-methylbutanoylamino)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 339.42 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-methylbutanoylamino)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 23968193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).