1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylic acid

C11H16N2O4S — CID 43170988

IUPAC1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)CN2CSCC2=O)C1
InChIInChI=1S/C11H16N2O4S/c14-9(5-13-7-18-6-10(13)15)12-3-1-2-8(4-12)11(16)17/h8H,1-7H2,(H,16,17)
InChIKeyVGPDIWAFPAUVFZ-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.16
Rot. Bonds3

About 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylic acid

1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylic acid (PubChem CID 43170988) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylic acid
PubChem CID43170988
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)CN2CSCC2=O)C1
InChIInChI=1S/C11H16N2O4S/c14-9(5-13-7-18-6-10(13)15)12-3-1-2-8(4-12)11(16)17/h8H,1-7H2,(H,16,17)
InChIKeyVGPDIWAFPAUVFZ-UHFFFAOYSA-N
XLogP-0.16
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylate
CID 78919114
1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
CID 62230805
3-[2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 95281683
2-[acetyl-[(4S)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]azepan-4-yl]amino]acetic acid
CID 129332794
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 43355855
3-[2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 42907207
(3S)-1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119137272
3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 79028449
(3S)-1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 81125475
(3S)-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylic acid
CID 81125395
3-[2-[(3R,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 97096904

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylic acid (CID 43170988) is 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)CN2CSCC2=O)C1.
What is the InChIKey of 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is VGPDIWAFPAUVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c14-9(5-13-7-18-6-10(13)15)12-3-1-2-8(4-12)11(16)17/h8H,1-7H2,(H,16,17).
What are the key properties of 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylic acid?
1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43170988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).