2-methoxycarbonyl-1,3-thiazolidine-4-carboxylic acid

C6H9NO4S — CID 70149669

IUPAC2-methoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCOC(=O)C1NC(C(=O)O)CS1
InChIInChI=1S/C6H9NO4S/c1-11-6(10)4-7-3(2-12-4)5(8)9/h3-4,7H,2H2,1H3,(H,8,9)
InChIKeyJEDDSJIMPIDIGB-UHFFFAOYSA-N
MW191.21 g/mol
LogP-0.72
Rot. Bonds2

About 2-methoxycarbonyl-1,3-thiazolidine-4-carboxylic acid

2-methoxycarbonyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 70149669) has the molecular formula C6H9NO4S and a molecular weight of 191.21 g/mol. Its IUPAC name is 2-methoxycarbonyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID70149669
Molecular FormulaC6H9NO4S
Molecular Weight191.21 g/mol
Exact Mass191.03
IUPAC Name2-methoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCOC(=O)C1NC(C(=O)O)CS1
InChIInChI=1S/C6H9NO4S/c1-11-6(10)4-7-3(2-12-4)5(8)9/h3-4,7H,2H2,1H3,(H,8,9)
InChIKeyJEDDSJIMPIDIGB-UHFFFAOYSA-N
XLogP-0.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methoxycarbonyl-1,3-thiazolidine-4-carboxylic acid (CID 70149669) is 2-methoxycarbonyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methoxycarbonyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methoxycarbonyl-1,3-thiazolidine-4-carboxylic acid is COC(=O)C1NC(C(=O)O)CS1.
What is the InChIKey of 2-methoxycarbonyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is JEDDSJIMPIDIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4S/c1-11-6(10)4-7-3(2-12-4)5(8)9/h3-4,7H,2H2,1H3,(H,8,9).
What are the key properties of 2-methoxycarbonyl-1,3-thiazolidine-4-carboxylic acid?
2-methoxycarbonyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 191.21 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 70149669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).