3-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid

C13H22N2O4S — CID 63779868

IUPAC3-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1COC(C)CN1C(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C13H22N2O4S/c1-4-10-6-19-8(2)5-14(10)13(18)15-9(3)20-7-11(15)12(16)17/h8-11H,4-7H2,1-3H3,(H,16,17)
InChIKeyQBORTBWNHWUQKJ-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.45
Rot. Bonds2

About 3-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid

3-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63779868) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63779868
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name3-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1COC(C)CN1C(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C13H22N2O4S/c1-4-10-6-19-8(2)5-14(10)13(18)15-9(3)20-7-11(15)12(16)17/h8-11H,4-7H2,1-3H3,(H,16,17)
InChIKeyQBORTBWNHWUQKJ-UHFFFAOYSA-N
XLogP1.45
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethylpyrrolidine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780738
1-(5-ethyl-2-methylmorpholine-4-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425340
1-(5-ethyl-2-methylmorpholine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61424652
1-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79382717
6-(5-ethyl-2-methylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 43578297
(5-ethyl-2-methylmorpholin-4-yl)-piperidin-1-ylmethanone
CID 113222014
3-butanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793196
cyclopropyl-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60645279
(3S)-1-(5-ethyl-2-methylmorpholine-4-carbonyl)piperidine-3-carboxylic acid
CID 81126016
3-(5-ethyl-2-methylmorpholin-4-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821469
[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
CID 95358527
5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid
CID 43578300

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 63779868) is 3-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is CCC1COC(C)CN1C(=O)N1C(C)SCC1C(=O)O.
What is the InChIKey of 3-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is QBORTBWNHWUQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-4-10-6-19-8(2)5-14(10)13(18)15-9(3)20-7-11(15)12(16)17/h8-11H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 3-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 302.40 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63779868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).