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

C11H15N3O3S — CID 79382851

IUPAC2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1cnc(NC(=O)N2CCC(C(=O)O)C2C)s1
InChIInChI=1S/C11H15N3O3S/c1-6-5-12-10(18-6)13-11(17)14-4-3-8(7(14)2)9(15)16/h5,7-8H,3-4H2,1-2H3,(H,15,16)(H,12,13,17)
InChIKeyZEWPVAKTXQNBBN-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.78
Rot. Bonds2

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

2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 79382851) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID79382851
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1cnc(NC(=O)N2CCC(C(=O)O)C2C)s1
InChIInChI=1S/C11H15N3O3S/c1-6-5-12-10(18-6)13-11(17)14-4-3-8(7(14)2)9(15)16/h5,7-8H,3-4H2,1-2H3,(H,15,16)(H,12,13,17)
InChIKeyZEWPVAKTXQNBBN-UHFFFAOYSA-N
XLogP1.78
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55150045
4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904543
2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2969362
2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102889857
N-(5-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3432578
1-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 114388391
1-[(3-fluorophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79363795
4-(3,5-dioxomorpholin-4-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 138988958
1-[(2,6-dichloro-3-methylphenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79376574
1-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79383497
1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 115617610
trans-(1R,2R)-2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 2304237

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 79382851) is 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid is Cc1cnc(NC(=O)N2CCC(C(=O)O)C2C)s1.
What is the InChIKey of 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ZEWPVAKTXQNBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-6-5-12-10(18-6)13-11(17)14-4-3-8(7(14)2)9(15)16/h5,7-8H,3-4H2,1-2H3,(H,15,16)(H,12,13,17).
What are the key properties of 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79382851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).