2-ethyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid

C11H15N3O3S — CID 83074911

IUPAC2-ethyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)c1snnc1C
InChIInChI=1S/C11H15N3O3S/c1-3-11(10(16)17)5-4-6-14(11)9(15)8-7(2)12-13-18-8/h3-6H2,1-2H3,(H,16,17)
InChIKeyABHABUFDCASRCH-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.32
Rot. Bonds3

About 2-ethyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid

2-ethyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 83074911) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-ethyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID83074911
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name2-ethyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)c1snnc1C
InChIInChI=1S/C11H15N3O3S/c1-3-11(10(16)17)5-4-6-14(11)9(15)8-7(2)12-13-18-8/h3-6H2,1-2H3,(H,16,17)
InChIKeyABHABUFDCASRCH-UHFFFAOYSA-N
XLogP1.32
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-dimethylpyrazole-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 102801358
1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83059786
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
2-ethyl-1-(2-methylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83076124
2-ethyl-1-(3-ethyl-6-methylpyridazine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 104669960
2-ethyl-1-(1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83075548
1-(2,5-dimethylpyrazole-3-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83075103
2-ethyl-1-(2-hydroxy-5-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 83075957
1-(1-aminocyclopropanecarbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070879
(4-hydroxy-4-methylazepan-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 107406650
1-(3,4-dichlorobenzoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83076119
3,3-dimethyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one
CID 63606888

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid (CID 83074911) is 2-ethyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)c1snnc1C.
What is the InChIKey of 2-ethyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ABHABUFDCASRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-3-11(10(16)17)5-4-6-14(11)9(15)8-7(2)12-13-18-8/h3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-ethyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83074911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).