3-(3-methylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

C13H22N2O4S — CID 63779835

IUPAC3-(3-methylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)N1CCOCC1C
InChIInChI=1S/C13H22N2O4S/c1-3-4-11-15(10(8-20-11)12(16)17)13(18)14-5-6-19-7-9(14)2/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyGVWQLIBUOHCCGB-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.46
Rot. Bonds3

About 3-(3-methylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

3-(3-methylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63779835) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-(3-methylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-methylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63779835
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name3-(3-methylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)N1CCOCC1C
InChIInChI=1S/C13H22N2O4S/c1-3-4-11-15(10(8-20-11)12(16)17)13(18)14-5-6-19-7-9(14)2/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyGVWQLIBUOHCCGB-UHFFFAOYSA-N
XLogP1.46
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780721
(2S,4S)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 7437958
3-(5-methyloxolane-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 114824462
3-(3-aminopyrrolidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55236110
3-(4-methoxypiperidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780001
2-cyclopropyl-3-(3-ethylmorpholine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780021
3-butanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793196
3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63781419
3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 42744256
3-[(2S)-2-amino-3-methylbutanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55235516
3-[cyclohexyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780501
3-(piperidine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792541

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-methylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 63779835) is 3-(3-methylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-methylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-methylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)N1CCOCC1C.
What is the InChIKey of 3-(3-methylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GVWQLIBUOHCCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-3-4-11-15(10(8-20-11)12(16)17)13(18)14-5-6-19-7-9(14)2/h9-11H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 3-(3-methylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-(3-methylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 302.40 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63779835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).