2-prop-2-enyl-1,3-thiazolidine-4-carboxylic acid

C7H11NO2S — CID 68534955

IUPAC2-prop-2-enyl-1,3-thiazolidine-4-carboxylic acid
SMILESC=CCC1NC(C(=O)O)CS1
InChIInChI=1S/C7H11NO2S/c1-2-3-6-8-5(4-11-6)7(9)10/h2,5-6,8H,1,3-4H2,(H,9,10)
InChIKeyLDDRAIKEXSMXTA-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.68
Rot. Bonds3

About 2-prop-2-enyl-1,3-thiazolidine-4-carboxylic acid

2-prop-2-enyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 68534955) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-prop-2-enyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-prop-2-enyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID68534955
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name2-prop-2-enyl-1,3-thiazolidine-4-carboxylic acid
SMILESC=CCC1NC(C(=O)O)CS1
InChIInChI=1S/C7H11NO2S/c1-2-3-6-8-5(4-11-6)7(9)10/h2,5-6,8H,1,3-4H2,(H,9,10)
InChIKeyLDDRAIKEXSMXTA-UHFFFAOYSA-N
XLogP0.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
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-prop-2-enyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-prop-2-enyl-1,3-thiazolidine-4-carboxylic acid (CID 68534955) is 2-prop-2-enyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-prop-2-enyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-prop-2-enyl-1,3-thiazolidine-4-carboxylic acid is C=CCC1NC(C(=O)O)CS1.
What is the InChIKey of 2-prop-2-enyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LDDRAIKEXSMXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-2-3-6-8-5(4-11-6)7(9)10/h2,5-6,8H,1,3-4H2,(H,9,10).
What are the key properties of 2-prop-2-enyl-1,3-thiazolidine-4-carboxylic acid?
2-prop-2-enyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 173.24 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 68534955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).