2-cyclopropyl-3-[(2-ethoxy-2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C14H24N2O4S — CID 114943457

IUPAC2-cyclopropyl-3-[(2-ethoxy-2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCOC(C)(C)CNC(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C14H24N2O4S/c1-4-20-14(2,3)8-15-13(19)16-10(12(17)18)7-21-11(16)9-5-6-9/h9-11H,4-8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyLVZUVYBXLZOZGY-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.75
Rot. Bonds6

About 2-cyclopropyl-3-[(2-ethoxy-2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

2-cyclopropyl-3-[(2-ethoxy-2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 114943457) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 2-cyclopropyl-3-[(2-ethoxy-2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[(2-ethoxy-2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID114943457
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name2-cyclopropyl-3-[(2-ethoxy-2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCOC(C)(C)CNC(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C14H24N2O4S/c1-4-20-14(2,3)8-15-13(19)16-10(12(17)18)7-21-11(16)9-5-6-9/h9-11H,4-8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyLVZUVYBXLZOZGY-UHFFFAOYSA-N
XLogP1.75
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-3-[(2-ethoxy-2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792239
2-cyclopropyl-3-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780533
2-cyclopropyl-3-(2-methylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792054
2-cyclopropyl-3-(3-methylbut-2-enylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 114156213
2-cyclopropyl-3-(4-methoxybutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780284
2-cyclopropyl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63779480
2-cyclopropyl-3-(pentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791706
2-cyclopropyl-3-[(2-ethylcyclopropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 114109060
2-cyclopropyl-3-(hexan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780480
2-cyclopropyl-3-(2-propan-2-yloxyacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 112602179
2-cyclopropyl-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780355
2-cyclopropyl-3-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63779877

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[(2-ethoxy-2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-[(2-ethoxy-2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 114943457) is 2-cyclopropyl-3-[(2-ethoxy-2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-[(2-ethoxy-2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-[(2-ethoxy-2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is CCOC(C)(C)CNC(=O)N1C(C(=O)O)CSC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[(2-ethoxy-2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LVZUVYBXLZOZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-4-20-14(2,3)8-15-13(19)16-10(12(17)18)7-21-11(16)9-5-6-9/h9-11H,4-8H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-cyclopropyl-3-[(2-ethoxy-2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-[(2-ethoxy-2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 316.42 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[(2-ethoxy-2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 114943457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).