5,5-dimethyl-3-(2-methylpropoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid

C11H19NO4S — CID 54009379

IUPAC5,5-dimethyl-3-(2-methylpropoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)COC(=O)N1CSC(C)(C)C1C(=O)O
InChIInChI=1S/C11H19NO4S/c1-7(2)5-16-10(15)12-6-17-11(3,4)8(12)9(13)14/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyKRFBITMBXSSDKS-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.02
Rot. Bonds3

About 5,5-dimethyl-3-(2-methylpropoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid

5,5-dimethyl-3-(2-methylpropoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 54009379) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 5,5-dimethyl-3-(2-methylpropoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name5,5-dimethyl-3-(2-methylpropoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID54009379
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name5,5-dimethyl-3-(2-methylpropoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)COC(=O)N1CSC(C)(C)C1C(=O)O
InChIInChI=1S/C11H19NO4S/c1-7(2)5-16-10(15)12-6-17-11(3,4)8(12)9(13)14/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyKRFBITMBXSSDKS-UHFFFAOYSA-N
XLogP2.02
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(2-methylpropoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 5,5-dimethyl-3-(2-methylpropoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 54009379) is 5,5-dimethyl-3-(2-methylpropoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 5,5-dimethyl-3-(2-methylpropoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 5,5-dimethyl-3-(2-methylpropoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid is CC(C)COC(=O)N1CSC(C)(C)C1C(=O)O.
What is the InChIKey of 5,5-dimethyl-3-(2-methylpropoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is KRFBITMBXSSDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-7(2)5-16-10(15)12-6-17-11(3,4)8(12)9(13)14/h7-8H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 5,5-dimethyl-3-(2-methylpropoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid?
5,5-dimethyl-3-(2-methylpropoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 261.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(2-methylpropoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 54009379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).