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

C11H16N2O4S — CID 107069118

IUPAC3-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)C2CSC(=O)N2)C1C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-6-3-2-4-13(8(6)10(15)16)9(14)7-5-18-11(17)12-7/h6-8H,2-5H2,1H3,(H,12,17)(H,15,16)
InChIKeyAPTCJYCSXGIXKM-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.52
Rot. Bonds2

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

3-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-2-carboxylic acid (PubChem CID 107069118) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-2-carboxylic acid
PubChem CID107069118
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name3-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)C2CSC(=O)N2)C1C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-6-3-2-4-13(8(6)10(15)16)9(14)7-5-18-11(17)12-7/h6-8H,2-5H2,1H3,(H,12,17)(H,15,16)
InChIKeyAPTCJYCSXGIXKM-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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Related Compounds

(2S)-1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 28789670
(4R)-4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 119634263
3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid
CID 107175978
(4R)-3-(2-oxo-1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144554
(4R)-4-(2,3-dimethylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one
CID 120569626
4-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 62468059
1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylic acid
CID 28789368
1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918403
4-[2-(hydroxymethyl)azepane-1-carbonyl]-1,3-thiazolidin-2-one
CID 116636142
3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid
CID 107069723
3-methyl-1-prop-2-ynoylpiperidine-2-carboxylic acid
CID 107069872
3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 102780280

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-2-carboxylic acid (CID 107069118) is 3-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-2-carboxylic acid is CC1CCCN(C(=O)C2CSC(=O)N2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is APTCJYCSXGIXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-6-3-2-4-13(8(6)10(15)16)9(14)7-5-18-11(17)12-7/h6-8H,2-5H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 3-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-2-carboxylic acid?
3-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-2-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 3-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 107069118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).