3-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

C14H26N2O4S — CID 63780098

About 3-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

3-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780098) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is 3-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
• PubChem CID: 63780098
• Molecular Formula: C14H26N2O4S
• Molecular Weight: 318.44 g/mol
• Exact Mass: 318.16
• IUPAC Name: 3-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
• SMILES: CCN(C(=O)N1C(C(=O)O)CSC1C(C)C)C(C)COC
• InChI: InChI=1S/C14H26N2O4S/c1-6-15(10(4)7-20-5)14(19)16-11(13(17)18)8-21-12(16)9(2)3/h9-12H,6-8H2,1-5H3,(H,17,18)
• InChIKey: RVHJMTDGFUSMPT-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 70.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.44
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?

The IUPAC name of 3-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 63780098) is 3-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

What is the SMILES notation for 3-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?

The canonical SMILES for 3-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is CCN(C(=O)N1C(C(=O)O)CSC1C(C)C)C(C)COC.

What is the InChIKey of 3-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?

The InChIKey is RVHJMTDGFUSMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-6-15(10(4)7-20-5)14(19)16-11(13(17)18)8-21-12(16)9(2)3/h9-12H,6-8H2,1-5H3,(H,17,18).

What are the key properties of 3-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?

3-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 318.44 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).