2,5,5-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid

C13H22N2O4S — CID 3069933

IUPAC2,5,5-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(CC(=O)N2CCOCC2)NC(C(=O)O)C(C)(C)S1
InChIInChI=1S/C13H22N2O4S/c1-12(2)10(11(17)18)14-13(3,20-12)8-9(16)15-4-6-19-7-5-15/h10,14H,4-8H2,1-3H3,(H,17,18)
InChIKeyMWJDCXNXFWJBSW-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.52
Rot. Bonds3

About 2,5,5-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid

2,5,5-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 3069933) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2,5,5-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2,5,5-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID3069933
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name2,5,5-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(CC(=O)N2CCOCC2)NC(C(=O)O)C(C)(C)S1
InChIInChI=1S/C13H22N2O4S/c1-12(2)10(11(17)18)14-13(3,20-12)8-9(16)15-4-6-19-7-5-15/h10,14H,4-8H2,1-3H3,(H,17,18)
InChIKeyMWJDCXNXFWJBSW-UHFFFAOYSA-N
XLogP0.52
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Thiazolidinecarboxylic acid, 2-(2-(dimethylamino)-2-oxoethyl)-2,5,5-trimethyl-
CID 3069931
4-Thiazolidinecarboxylic acid, 2,5,5-trimethyl-2-(2-oxo-2-(1-pyrrolidinyl)ethyl)-
CID 3069932
4-Thiazolidinecarboxylic acid, 2,5,5-trimethyl-2-(2-oxo-2-(1-piperidinyl)ethyl)-
CID 3069936
4-Thiazolidinecarboxylic acid, 2-(2-(diethylamino)-2-oxoethyl)-2,5,5-trimethyl-
CID 3069937
4-Thiazolidinecarboxylic acid, 2,5,5-trimethyl-2-(2-(4-methyl-1-piperazinyl)-2-oxoethyl)-
CID 3069934
4-Thiazolidinecarboxylic acid, 2-(2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl)-2,5,5-trimethyl-
CID 3069935
(2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;morpholine
CID 170845591
Butyl 1,1-dimethyl-5,8-dioxo-3,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate
CID 12613550
ethyl (2S)-2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]propanoate
CID 91435405
3-(2-Aminoacetyl)-2-butoxycarbonyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 12613548
2-[[1-(2-Methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 43353501
3-Methyl-2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]butanoic acid
CID 43353984

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2,5,5-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid (CID 3069933) is 2,5,5-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2,5,5-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2,5,5-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid is CC1(CC(=O)N2CCOCC2)NC(C(=O)O)C(C)(C)S1.
What is the InChIKey of 2,5,5-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is MWJDCXNXFWJBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-12(2)10(11(17)18)14-13(3,20-12)8-9(16)15-4-6-19-7-5-15/h10,14H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 2,5,5-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid?
2,5,5-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 302.40 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 3069933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).