3-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)pyrrolidine-3-carboxylic acid

C11H14N2O3S — CID 120529180

IUPAC3-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1nscc1C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C11H14N2O3S/c1-7-8(5-17-12-7)9(14)13-4-3-11(2,6-13)10(15)16/h5H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyCYPLCMWWPAYNST-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.39
Rot. Bonds2

About 3-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)pyrrolidine-3-carboxylic acid

3-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 120529180) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID120529180
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name3-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1nscc1C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C11H14N2O3S/c1-7-8(5-17-12-7)9(14)13-4-3-11(2,6-13)10(15)16/h5H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyCYPLCMWWPAYNST-UHFFFAOYSA-N
XLogP1.39
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid
CID 79803046
(3R)-1-(1H-indazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 129469253
(3R)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 99608759
1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166142
1-(2-bromo-5-methylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 81110258
3-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146235
3-methyl-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146802
1-(2-bromopyridine-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114036696
(3R)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124682211
3-methyl-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256608
3-methyl-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146564
1-(5-chloro-2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55167093

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)pyrrolidine-3-carboxylic acid (CID 120529180) is 3-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)pyrrolidine-3-carboxylic acid is Cc1nscc1C(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is CYPLCMWWPAYNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-7-8(5-17-12-7)9(14)13-4-3-11(2,6-13)10(15)16/h5H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120529180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).