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

C14H24N2O4S — CID 63780721

IUPAC3-(2-ethylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)N1CCOC(CC)C1
InChIInChI=1S/C14H24N2O4S/c1-3-5-12-16(11(9-21-12)13(17)18)14(19)15-6-7-20-10(4-2)8-15/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyGBJFZRBIEQTSOO-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.85
Rot. Bonds4

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

3-(2-ethylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780721) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 3-(2-ethylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-ethylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780721
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name3-(2-ethylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)N1CCOC(CC)C1
InChIInChI=1S/C14H24N2O4S/c1-3-5-12-16(11(9-21-12)13(17)18)14(19)15-6-7-20-10(4-2)8-15/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyGBJFZRBIEQTSOO-UHFFFAOYSA-N
XLogP1.85
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-aminopyrrolidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55236110
3-[2-(hydroxymethyl)morpholine-4-carbonyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 81194262
3-(4-methoxypiperidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780001
3-(3-methylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63779835
(2S)-1-(2-ethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61200786
(2S,4S)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 7437958
2-ethylmorpholine-4-carboxylic acid
CID 121455686
2-ethyl-3-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780161
3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63781419
3-(5-methyloxolane-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 114824462
2-ethyl-3-[3-(oxan-2-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63951515
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 79930755

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-ethylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 63780721) is 3-(2-ethylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-ethylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-ethylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)N1CCOC(CC)C1.
What is the InChIKey of 3-(2-ethylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GBJFZRBIEQTSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-3-5-12-16(11(9-21-12)13(17)18)14(19)15-6-7-20-10(4-2)8-15/h10-12H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 3-(2-ethylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-(2-ethylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 316.42 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).