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

C13H22N2O4S — CID 63780284

IUPAC2-cyclopropyl-3-(4-methoxybutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOCCCCNC(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C13H22N2O4S/c1-19-7-3-2-6-14-13(18)15-10(12(16)17)8-20-11(15)9-4-5-9/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyBSUCWWCTFAIOCL-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.36
Rot. Bonds7

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

2-cyclopropyl-3-(4-methoxybutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780284) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4-methoxybutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(4-methoxybutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780284
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name2-cyclopropyl-3-(4-methoxybutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOCCCCNC(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C13H22N2O4S/c1-19-7-3-2-6-14-13(18)15-10(12(16)17)8-20-11(15)9-4-5-9/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyBSUCWWCTFAIOCL-UHFFFAOYSA-N
XLogP1.36
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-3-(3-methylbut-2-enylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 114156213
2-cyclopropyl-3-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780533
2-cyclopropyl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63779480
2-cyclopropyl-3-[(2-ethoxy-2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 114943457
2-cyclopropyl-3-(hexan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780480
2-cyclopropyl-3-(pentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791706
2-cyclopropyl-3-(piperidin-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 83019725
2-cyclopropyl-3-[(2-ethylcyclopropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 114109060
2-cyclopropyl-3-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63779877
2-cyclopropyl-3-(2-methoxyethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235918
2-cyclopropyl-3-propan-2-yloxycarbonyl-1,3-thiazolidine-4-carboxylic acid
CID 63782007
2-cyclopropyl-3-(2-propan-2-yloxyacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 112602179

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4-methoxybutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(4-methoxybutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 63780284) is 2-cyclopropyl-3-(4-methoxybutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(4-methoxybutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(4-methoxybutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is COCCCCNC(=O)N1C(C(=O)O)CSC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(4-methoxybutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BSUCWWCTFAIOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-19-7-3-2-6-14-13(18)15-10(12(16)17)8-20-11(15)9-4-5-9/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-cyclopropyl-3-(4-methoxybutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-(4-methoxybutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 302.40 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4-methoxybutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).