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

C10H14N2O4S — CID 43211098

IUPAC1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid
SMILESO=C1NC(C(=O)N2CCCC(C(=O)O)C2)CS1
InChIInChI=1S/C10H14N2O4S/c13-8(7-5-17-10(16)11-7)12-3-1-2-6(4-12)9(14)15/h6-7H,1-5H2,(H,11,16)(H,14,15)
InChIKeyMVCDHDVKWVEEMM-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.13
Rot. Bonds2

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

1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 43211098) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID43211098
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid
SMILESO=C1NC(C(=O)N2CCCC(C(=O)O)C2)CS1
InChIInChI=1S/C10H14N2O4S/c13-8(7-5-17-10(16)11-7)12-3-1-2-6(4-12)9(14)15/h6-7H,1-5H2,(H,11,16)(H,14,15)
InChIKeyMVCDHDVKWVEEMM-UHFFFAOYSA-N
XLogP0.13
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.13
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 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid (CID 43211098) is 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid is O=C1NC(C(=O)N2CCCC(C(=O)O)C2)CS1.
What is the InChIKey of 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is MVCDHDVKWVEEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c13-8(7-5-17-10(16)11-7)12-3-1-2-6(4-12)9(14)15/h6-7H,1-5H2,(H,11,16)(H,14,15).
What are the key properties of 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid?
1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 258.30 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43211098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).