3-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]oxypropanoic acid

C13H20N2O5S — CID 63870414

IUPAC3-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(C(=O)CN2CSCC2=O)CC1
InChIInChI=1S/C13H20N2O5S/c16-11(7-15-9-21-8-12(15)17)14-4-1-10(2-5-14)20-6-3-13(18)19/h10H,1-9H2,(H,18,19)
InChIKeyLFNWGVJPNWXYFM-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.00
Rot. Bonds6

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

3-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]oxypropanoic acid (PubChem CID 63870414) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]oxypropanoic acid
PubChem CID63870414
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name3-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(C(=O)CN2CSCC2=O)CC1
InChIInChI=1S/C13H20N2O5S/c16-11(7-15-9-21-8-12(15)17)14-4-1-10(2-5-14)20-6-3-13(18)19/h10H,1-9H2,(H,18,19)
InChIKeyLFNWGVJPNWXYFM-UHFFFAOYSA-N
XLogP0.00
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 128848247
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
2-[acetyl-[(4S)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]azepan-4-yl]amino]acetic acid
CID 129332794
3-[2-oxo-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 56797721
3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid
CID 63876085
1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylic acid
CID 43170988
3-[1-(3-methylsulfonylpropanoyl)piperidin-4-yl]oxypropanoic acid
CID 63876697
3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63875309
3-[1-[2-(ethylamino)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63876082
3-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 25473522
3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63875586
3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63874882

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]oxypropanoic acid (CID 63870414) is 3-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]oxypropanoic acid is O=C(O)CCOC1CCN(C(=O)CN2CSCC2=O)CC1.
What is the InChIKey of 3-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]oxypropanoic acid?
The InChIKey is LFNWGVJPNWXYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c16-11(7-15-9-21-8-12(15)17)14-4-1-10(2-5-14)20-6-3-13(18)19/h10H,1-9H2,(H,18,19).
What are the key properties of 3-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]oxypropanoic acid?
3-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]oxypropanoic acid has a molecular weight of 316.38 g/mol, XLogP of 0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 63870414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).