2-cyclopropyl-3-(3-methylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C13H20N2O3S — CID 102779476

IUPAC2-cyclopropyl-3-(3-methylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1CCNC1C(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C13H20N2O3S/c1-7-4-5-14-10(7)11(16)15-9(13(17)18)6-19-12(15)8-2-3-8/h7-10,12,14H,2-6H2,1H3,(H,17,18)
InChIKeyUXSNXHQXTJVMOJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.75
Rot. Bonds3

About 2-cyclopropyl-3-(3-methylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-cyclopropyl-3-(3-methylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 102779476) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3-methylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(3-methylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID102779476
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-cyclopropyl-3-(3-methylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1CCNC1C(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C13H20N2O3S/c1-7-4-5-14-10(7)11(16)15-9(13(17)18)6-19-12(15)8-2-3-8/h7-10,12,14H,2-6H2,1H3,(H,17,18)
InChIKeyUXSNXHQXTJVMOJ-UHFFFAOYSA-N
XLogP0.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235134
2-cyclopropyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792239
2-cyclopropyl-3-(4-methylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63790632
2-cyclopropyl-3-propan-2-yloxycarbonyl-1,3-thiazolidine-4-carboxylic acid
CID 63782007
2-cyclopropyl-3-[(2R)-oxolane-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 104855708
2-cyclopropyl-3-(2,3-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780473
2-cyclopropyl-3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 83071546
2-cyclopropyl-3-(2-methylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 104596836
2-cyclopropyl-3-pent-4-enoyl-1,3-thiazolidine-4-carboxylic acid
CID 55235910
2-cyclopropyl-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780355
2-cyclopropyl-3-(3-methylbut-2-enylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 114156213
2-cyclopropyl-3-(2-methylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792218

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3-methylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(3-methylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 102779476) is 2-cyclopropyl-3-(3-methylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(3-methylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(3-methylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CC1CCNC1C(=O)N1C(C(=O)O)CSC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3-methylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UXSNXHQXTJVMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-7-4-5-14-10(7)11(16)15-9(13(17)18)6-19-12(15)8-2-3-8/h7-10,12,14H,2-6H2,1H3,(H,17,18).
What are the key properties of 2-cyclopropyl-3-(3-methylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-(3-methylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 284.38 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3-methylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 102779476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).