2-[2-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid

C16H23NO6S — CID 144849554

IUPAC2-[2-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCOCCOCCOc1cccc(C2(C)NC(C(=O)O)CS2)c1O
InChIInChI=1S/C16H23NO6S/c1-16(17-12(10-24-16)15(19)20)11-4-3-5-13(14(11)18)23-9-8-22-7-6-21-2/h3-5,12,17-18H,6-10H2,1-2H3,(H,19,20)
InChIKeyKWDUVBNTPFXDDF-UHFFFAOYSA-N
MW357.43 g/mol
LogP1.40
Rot. Bonds9

About 2-[2-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid

2-[2-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 144849554) has the molecular formula C16H23NO6S and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-[2-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID144849554
Molecular FormulaC16H23NO6S
Molecular Weight357.43 g/mol
Exact Mass357.12
IUPAC Name2-[2-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCOCCOCCOc1cccc(C2(C)NC(C(=O)O)CS2)c1O
InChIInChI=1S/C16H23NO6S/c1-16(17-12(10-24-16)15(19)20)11-4-3-5-13(14(11)18)23-9-8-22-7-6-21-2/h3-5,12,17-18H,6-10H2,1-2H3,(H,19,20)
InChIKeyKWDUVBNTPFXDDF-UHFFFAOYSA-N
XLogP1.40
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxy-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 143928032
2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,4-dihydroimidazole-5-carboxylic acid
CID 135968172
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol
CID 104564323
3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzoic acid
CID 82827126
disodium bis((4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylate)
CID 140670128
methyl 2-hydroxy-3-[2-[2-[2-(2-hydroxy-3-methoxycarbonylphenoxy)ethoxy]ethoxy]ethoxy]benzoate
CID 100926239
(2S,4S)-2-(3-ethoxy-2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 866464
1-(chloromethyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzene
CID 10859628
2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid
CID 104564090
methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate
CID 11109738
1-(chloromethyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzene;ethane
CID 142063314
2-methyl-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylic acid
CID 80500608

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-[2-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 144849554) is 2-[2-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-[2-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-[2-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is COCCOCCOc1cccc(C2(C)NC(C(=O)O)CS2)c1O.
What is the InChIKey of 2-[2-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is KWDUVBNTPFXDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO6S/c1-16(17-12(10-24-16)15(19)20)11-4-3-5-13(14(11)18)23-9-8-22-7-6-21-2/h3-5,12,17-18H,6-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
2-[2-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 357.43 g/mol, XLogP of 1.40, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 144849554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).