3-[2-(ethylamino)-2-methylpropanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

C13H24N2O3S — CID 55235898

IUPAC3-[2-(ethylamino)-2-methylpropanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCCNC(C)(C)C(=O)N1C(C(=O)O)CSC1C(C)C
InChIInChI=1S/C13H24N2O3S/c1-6-14-13(4,5)12(18)15-9(11(16)17)7-19-10(15)8(2)3/h8-10,14H,6-7H2,1-5H3,(H,16,17)
InChIKeyZXDXQYGIAYYJQN-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.39
Rot. Bonds5

About 3-[2-(ethylamino)-2-methylpropanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

3-[2-(ethylamino)-2-methylpropanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55235898) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 3-[2-(ethylamino)-2-methylpropanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(ethylamino)-2-methylpropanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID55235898
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name3-[2-(ethylamino)-2-methylpropanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCCNC(C)(C)C(=O)N1C(C(=O)O)CSC1C(C)C
InChIInChI=1S/C13H24N2O3S/c1-6-14-13(4,5)12(18)15-9(11(16)17)7-19-10(15)8(2)3/h8-10,14H,6-7H2,1-5H3,(H,16,17)
InChIKeyZXDXQYGIAYYJQN-UHFFFAOYSA-N
XLogP1.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-2-methylpropanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-(ethylamino)-2-methylpropanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 55235898) is 3-[2-(ethylamino)-2-methylpropanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(ethylamino)-2-methylpropanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-(ethylamino)-2-methylpropanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is CCNC(C)(C)C(=O)N1C(C(=O)O)CSC1C(C)C.
What is the InChIKey of 3-[2-(ethylamino)-2-methylpropanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZXDXQYGIAYYJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-6-14-13(4,5)12(18)15-9(11(16)17)7-19-10(15)8(2)3/h8-10,14H,6-7H2,1-5H3,(H,16,17).
What are the key properties of 3-[2-(ethylamino)-2-methylpropanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
3-[2-(ethylamino)-2-methylpropanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 288.41 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)-2-methylpropanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55235898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).