2-cyclopropyl-3-pent-4-enoyl-1,3-thiazolidine-4-carboxylic acid

C12H17NO3S — CID 55235910

IUPAC2-cyclopropyl-3-pent-4-enoyl-1,3-thiazolidine-4-carboxylic acid
SMILESC=CCCC(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C12H17NO3S/c1-2-3-4-10(14)13-9(12(15)16)7-17-11(13)8-5-6-8/h2,8-9,11H,1,3-7H2,(H,15,16)
InChIKeyXRUHTDWXQQXUNR-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.72
Rot. Bonds5

About 2-cyclopropyl-3-pent-4-enoyl-1,3-thiazolidine-4-carboxylic acid

2-cyclopropyl-3-pent-4-enoyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55235910) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-cyclopropyl-3-pent-4-enoyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-pent-4-enoyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID55235910
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-cyclopropyl-3-pent-4-enoyl-1,3-thiazolidine-4-carboxylic acid
SMILESC=CCCC(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C12H17NO3S/c1-2-3-4-10(14)13-9(12(15)16)7-17-11(13)8-5-6-8/h2,8-9,11H,1,3-7H2,(H,15,16)
InChIKeyXRUHTDWXQQXUNR-UHFFFAOYSA-N
XLogP1.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.72
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 2-cyclopropyl-3-pent-4-enoyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-pent-4-enoyl-1,3-thiazolidine-4-carboxylic acid (CID 55235910) is 2-cyclopropyl-3-pent-4-enoyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-pent-4-enoyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-pent-4-enoyl-1,3-thiazolidine-4-carboxylic acid is C=CCCC(=O)N1C(C(=O)O)CSC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-pent-4-enoyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is XRUHTDWXQQXUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-2-3-4-10(14)13-9(12(15)16)7-17-11(13)8-5-6-8/h2,8-9,11H,1,3-7H2,(H,15,16).
What are the key properties of 2-cyclopropyl-3-pent-4-enoyl-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-pent-4-enoyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 255.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-pent-4-enoyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55235910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).