(4R)-2-(2-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

C11H13NO4S — CID 12915755

IUPAC(4R)-2-(2-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1cccc(C2N[C@H](C(=O)O)CS2)c1O
InChIInChI=1S/C11H13NO4S/c1-16-8-4-2-3-6(9(8)13)10-12-7(5-17-10)11(14)15/h2-4,7,10,12-13H,5H2,1H3,(H,14,15)/t7-,10?/m0/s1
InChIKeyUONSFKQBHNZYMD-BYDSUWOYSA-N
MW255.29 g/mol
LogP1.19
Rot. Bonds3

About (4R)-2-(2-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-2-(2-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 12915755) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is (4R)-2-(2-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-(2-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID12915755
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name(4R)-2-(2-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1cccc(C2N[C@H](C(=O)O)CS2)c1O
InChIInChI=1S/C11H13NO4S/c1-16-8-4-2-3-6(9(8)13)10-12-7(5-17-10)11(14)15/h2-4,7,10,12-13H,5H2,1H3,(H,14,15)/t7-,10?/m0/s1
InChIKeyUONSFKQBHNZYMD-BYDSUWOYSA-N
XLogP1.19
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-2-(2-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (CID 12915755) is (4R)-2-(2-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-2-(2-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-2-(2-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is COc1cccc(C2N[C@H](C(=O)O)CS2)c1O.
What is the InChIKey of (4R)-2-(2-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UONSFKQBHNZYMD-BYDSUWOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-16-8-4-2-3-6(9(8)13)10-12-7(5-17-10)11(14)15/h2-4,7,10,12-13H,5H2,1H3,(H,14,15)/t7-,10?/m0/s1.
What are the key properties of (4R)-2-(2-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-2-(2-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 255.29 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 12915755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).