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

C8H13NO4S — CID 130020597

IUPAC2-(carboxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SC(CC(=O)O)NC1C(=O)O
InChIInChI=1S/C8H13NO4S/c1-8(2)6(7(12)13)9-4(14-8)3-5(10)11/h4,6,9H,3H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyMUFWBYXGWAWCFK-UHFFFAOYSA-N
MW219.26 g/mol
LogP0.36
Rot. Bonds3

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

2-(carboxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 130020597) has the molecular formula C8H13NO4S and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(carboxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(carboxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID130020597
Molecular FormulaC8H13NO4S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name2-(carboxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SC(CC(=O)O)NC1C(=O)O
InChIInChI=1S/C8H13NO4S/c1-8(2)6(7(12)13)9-4(14-8)3-5(10)11/h4,6,9H,3H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyMUFWBYXGWAWCFK-UHFFFAOYSA-N
XLogP0.36
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-2,2-Dimethyl-4-thiazolidinecarboxylic Acid
CID 676443
5,5-dimethylthiazolidine-4-carboxylic acid, (R)-
CID 5715192
2,2-Dimethylthiazolidine-4-carboxylic acid hydrochloride
CID 419715
2-(2-Ethoxy-2-oxoethyl)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
CID 272755
5,5-Dimethyl-4-thiazolidinecarboxylic acid
CID 85822
2-Methylthiazolidine-4-carboxylic acid
CID 160736
4-Thiazolidinecarboxylic acid, 2-ethyl-
CID 98344
Thiazolidinecarboxylic acid, 2-ethyl-
CID 198462
4-Thiazolidinecarboxylic acid, 5,5-dimethyl-2-(trifluoromethyl)-
CID 207930
2,2,5,5-Tetramethylthiazolidine-4-carboxylic acid hydrochloride
CID 3015648
Penicilloic acid
CID 52921568
(2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
CID 155295725

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(carboxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (CID 130020597) is 2-(carboxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(carboxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(carboxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is CC1(C)SC(CC(=O)O)NC1C(=O)O.
What is the InChIKey of 2-(carboxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is MUFWBYXGWAWCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4S/c1-8(2)6(7(12)13)9-4(14-8)3-5(10)11/h4,6,9H,3H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-(carboxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
2-(carboxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 219.26 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 130020597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).