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

C14H22N2O4S — CID 63780021

IUPAC2-cyclopropyl-3-(3-ethylmorpholine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1COCCN1C(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C14H22N2O4S/c1-2-10-7-20-6-5-15(10)14(19)16-11(13(17)18)8-21-12(16)9-3-4-9/h9-12H,2-8H2,1H3,(H,17,18)
InChIKeyFMOFMJGLPPFICZ-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.46
Rot. Bonds3

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

2-cyclopropyl-3-(3-ethylmorpholine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780021) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3-ethylmorpholine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(3-ethylmorpholine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780021
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-cyclopropyl-3-(3-ethylmorpholine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1COCCN1C(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C14H22N2O4S/c1-2-10-7-20-6-5-15(10)14(19)16-11(13(17)18)8-21-12(16)9-3-4-9/h9-12H,2-8H2,1H3,(H,17,18)
InChIKeyFMOFMJGLPPFICZ-UHFFFAOYSA-N
XLogP1.46
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3-ethylmorpholine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(3-ethylmorpholine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 63780021) is 2-cyclopropyl-3-(3-ethylmorpholine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(3-ethylmorpholine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(3-ethylmorpholine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CCC1COCCN1C(=O)N1C(C(=O)O)CSC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3-ethylmorpholine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FMOFMJGLPPFICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-2-10-7-20-6-5-15(10)14(19)16-11(13(17)18)8-21-12(16)9-3-4-9/h9-12H,2-8H2,1H3,(H,17,18).
What are the key properties of 2-cyclopropyl-3-(3-ethylmorpholine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-(3-ethylmorpholine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 314.41 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 2-cyclopropyl-3-(3-ethylmorpholine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).