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

C10H17NO4S — CID 54057575

IUPAC2-(carboxymethyl)-3-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCN1C(CC(=O)O)SC(C)(C)C1C(=O)O
InChIInChI=1S/C10H17NO4S/c1-4-11-6(5-7(12)13)16-10(2,3)8(11)9(14)15/h6,8H,4-5H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyLXINYSKBJDLCIT-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.09
Rot. Bonds4

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

2-(carboxymethyl)-3-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 54057575) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-(carboxymethyl)-3-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(carboxymethyl)-3-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID54057575
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name2-(carboxymethyl)-3-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCN1C(CC(=O)O)SC(C)(C)C1C(=O)O
InChIInChI=1S/C10H17NO4S/c1-4-11-6(5-7(12)13)16-10(2,3)8(11)9(14)15/h6,8H,4-5H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyLXINYSKBJDLCIT-UHFFFAOYSA-N
XLogP1.09
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Acetylsulfanyl-propionyl)-2,2,5,5-tetramethyl-thiazolidine-4-carboxylic acid
CID 13599155
3-(2-Mercapto-propionyl)-2,2,5,5-tetramethyl-thiazolidine-4-carboxylic acid
CID 13599159
5,5-Dimethylthiazolidine-2,4-dicarboxylic acid
CID 3035723
(4R)-3,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
CID 130782120
(2R,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylic acid
CID 7214349
2-(Amino(carboxy)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid
CID 12548074
2-[3-(Carboxymethyl)-2-sulfanylidene-1,3-thiazolidin-4-yl]acetic acid
CID 87645332
(4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylic acid
CID 2825756
Sulbactam Impurity 62
CID 3755130
Penicillin Impurity 1
CID 21854441
3-(3-Acetylsulfanylpropanoyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 12890009
3-(3-Acetylsulfanyl-2-methylpropanoyl)-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid
CID 13599160

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethyl)-3-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(carboxymethyl)-3-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (CID 54057575) is 2-(carboxymethyl)-3-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(carboxymethyl)-3-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(carboxymethyl)-3-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is CCN1C(CC(=O)O)SC(C)(C)C1C(=O)O.
What is the InChIKey of 2-(carboxymethyl)-3-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LXINYSKBJDLCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-4-11-6(5-7(12)13)16-10(2,3)8(11)9(14)15/h6,8H,4-5H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-(carboxymethyl)-3-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
2-(carboxymethyl)-3-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 247.32 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethyl)-3-ethyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 54057575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).