4-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid

C11H16N2O4S — CID 63123107

IUPAC4-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C2CSC(=O)N2)CC1
InChIInChI=1S/C11H16N2O4S/c1-11(9(15)16)2-4-13(5-3-11)8(14)7-6-18-10(17)12-7/h7H,2-6H2,1H3,(H,12,17)(H,15,16)
InChIKeyKMIZALBLSRVRCF-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.52
Rot. Bonds2

About 4-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid

4-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 63123107) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID63123107
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name4-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C2CSC(=O)N2)CC1
InChIInChI=1S/C11H16N2O4S/c1-11(9(15)16)2-4-13(5-3-11)8(14)7-6-18-10(17)12-7/h7H,2-6H2,1H3,(H,12,17)(H,15,16)
InChIKeyKMIZALBLSRVRCF-UHFFFAOYSA-N
XLogP0.52
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid (CID 63123107) is 4-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)C2CSC(=O)N2)CC1.
What is the InChIKey of 4-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is KMIZALBLSRVRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-11(9(15)16)2-4-13(5-3-11)8(14)7-6-18-10(17)12-7/h7H,2-6H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 4-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid?
4-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63123107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).