3-methyl-1-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoyl]pyrrolidine-3-carboxylic acid

C15H23N3O3S — CID 122086847

IUPAC3-methyl-1-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1nc(CC(C)C)c(NC(=O)N2CCC(C)(C(=O)O)C2)s1
InChIInChI=1S/C15H23N3O3S/c1-9(2)7-11-12(22-10(3)16-11)17-14(21)18-6-5-15(4,8-18)13(19)20/h9H,5-8H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyGIJTYBTYJRSSDT-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.98
Rot. Bonds4

About 3-methyl-1-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoyl]pyrrolidine-3-carboxylic acid

3-methyl-1-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122086847) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-methyl-1-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122086847
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name3-methyl-1-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1nc(CC(C)C)c(NC(=O)N2CCC(C)(C(=O)O)C2)s1
InChIInChI=1S/C15H23N3O3S/c1-9(2)7-11-12(22-10(3)16-11)17-14(21)18-6-5-15(4,8-18)13(19)20/h9H,5-8H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyGIJTYBTYJRSSDT-UHFFFAOYSA-N
XLogP2.98
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoyl]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

(3aR,6aS)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 128617173
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122001409
3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63147322
3-methyl-1-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074778
1-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149532
1-[[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122088177
1-[(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122093933
1-[(2-ethyl-6-methylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63145953
4-methyl-4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoylamino]pentanoic acid
CID 122086852
3-methyl-1-[(2,4,6-trichlorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63145650
1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124108
(3R)-3-methyl-1-[2-(2-methylpropylsulfonyl)acetyl]pyrrolidine-3-carboxylic acid
CID 125118775

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoyl]pyrrolidine-3-carboxylic acid (CID 122086847) is 3-methyl-1-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoyl]pyrrolidine-3-carboxylic acid is Cc1nc(CC(C)C)c(NC(=O)N2CCC(C)(C(=O)O)C2)s1.
What is the InChIKey of 3-methyl-1-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is GIJTYBTYJRSSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-9(2)7-11-12(22-10(3)16-11)17-14(21)18-6-5-15(4,8-18)13(19)20/h9H,5-8H2,1-4H3,(H,17,21)(H,19,20).
What are the key properties of 3-methyl-1-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 325.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122086847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).