2-cyclopropyl-3-(pentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C13H22N2O3S — CID 63791706

IUPAC2-cyclopropyl-3-(pentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC(C)NC(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C13H22N2O3S/c1-3-4-8(2)14-13(18)15-10(12(16)17)7-19-11(15)9-5-6-9/h8-11H,3-7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyLKFGAUBVBJMBJE-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.12
Rot. Bonds5

About 2-cyclopropyl-3-(pentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

2-cyclopropyl-3-(pentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63791706) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-cyclopropyl-3-(pentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(pentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63791706
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name2-cyclopropyl-3-(pentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC(C)NC(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C13H22N2O3S/c1-3-4-8(2)14-13(18)15-10(12(16)17)7-19-11(15)9-5-6-9/h8-11H,3-7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyLKFGAUBVBJMBJE-UHFFFAOYSA-N
XLogP2.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(hexan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780480
2-cyclopropyl-3-(2-methylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792054
2-cyclopropyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792239
2-cyclopropyl-3-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63779877
2-cyclopropyl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63779480
2-cyclopropyl-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780355
2-cyclopropyl-3-[(2-ethylcyclopropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 114109060
3-(4-amino-2-methylbutanoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 80544782
2-cyclopropyl-3-(3-methylbut-2-enylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 114156213
3-[(2S)-2-amino-4-methylpentanoyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 55237260
2-cyclopropyl-3-propan-2-yloxycarbonyl-1,3-thiazolidine-4-carboxylic acid
CID 63782007
2-cyclopropyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780361

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(pentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(pentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 63791706) is 2-cyclopropyl-3-(pentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(pentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(pentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is CCCC(C)NC(=O)N1C(C(=O)O)CSC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(pentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LKFGAUBVBJMBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-3-4-8(2)14-13(18)15-10(12(16)17)7-19-11(15)9-5-6-9/h8-11H,3-7H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-cyclopropyl-3-(pentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-(pentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 286.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(pentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63791706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).