3-(2-cyclopent-2-en-1-ylacetyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid

C14H19NO3S — CID 55236294

IUPAC3-(2-cyclopent-2-en-1-ylacetyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CC2)N1C(=O)CC1C=CCC1
InChIInChI=1S/C14H19NO3S/c16-12(7-9-3-1-2-4-9)15-11(14(17)18)8-19-13(15)10-5-6-10/h1,3,9-11,13H,2,4-8H2,(H,17,18)
InChIKeyWGNQAELESIZAIH-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.11
Rot. Bonds4

About 3-(2-cyclopent-2-en-1-ylacetyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid

3-(2-cyclopent-2-en-1-ylacetyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55236294) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-(2-cyclopent-2-en-1-ylacetyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-cyclopent-2-en-1-ylacetyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID55236294
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name3-(2-cyclopent-2-en-1-ylacetyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CC2)N1C(=O)CC1C=CCC1
InChIInChI=1S/C14H19NO3S/c16-12(7-9-3-1-2-4-9)15-11(14(17)18)8-19-13(15)10-5-6-10/h1,3,9-11,13H,2,4-8H2,(H,17,18)
InChIKeyWGNQAELESIZAIH-UHFFFAOYSA-N
XLogP2.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopent-2-en-1-ylacetyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-cyclopent-2-en-1-ylacetyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid (CID 55236294) is 3-(2-cyclopent-2-en-1-ylacetyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-cyclopent-2-en-1-ylacetyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-cyclopent-2-en-1-ylacetyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(C2CC2)N1C(=O)CC1C=CCC1.
What is the InChIKey of 3-(2-cyclopent-2-en-1-ylacetyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WGNQAELESIZAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c16-12(7-9-3-1-2-4-9)15-11(14(17)18)8-19-13(15)10-5-6-10/h1,3,9-11,13H,2,4-8H2,(H,17,18).
What are the key properties of 3-(2-cyclopent-2-en-1-ylacetyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
3-(2-cyclopent-2-en-1-ylacetyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopent-2-en-1-ylacetyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55236294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).