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

C13H20N2O5S — CID 66251659

IUPAC4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)CN1CSCC1=O)C1COCC1C(=O)O
InChIInChI=1S/C13H20N2O5S/c1-2-3-15(10-6-20-5-9(10)13(18)19)11(16)4-14-8-21-7-12(14)17/h9-10H,2-8H2,1H3,(H,18,19)
InChIKeyDJRFRFSFKZAKDS-UHFFFAOYSA-N
MW316.38 g/mol
LogP-0.14
Rot. Bonds6

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

4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propylamino]oxolane-3-carboxylic acid (PubChem CID 66251659) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propylamino]oxolane-3-carboxylic acid
PubChem CID66251659
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)CN1CSCC1=O)C1COCC1C(=O)O
InChIInChI=1S/C13H20N2O5S/c1-2-3-15(10-6-20-5-9(10)13(18)19)11(16)4-14-8-21-7-12(14)17/h9-10H,2-8H2,1H3,(H,18,19)
InChIKeyDJRFRFSFKZAKDS-UHFFFAOYSA-N
XLogP-0.14
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 ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propylamino]oxolane-3-carboxylic acid with MolForge

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Related Compounds

4-[(2-piperazin-1-ylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 66257035
4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 103162016
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid
CID 66254737
4-[(2-propan-2-ylsulfanylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 66253390
4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid
CID 66252612
4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254547
4-[(3-methylthiomorpholine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66251388
4-[(3-methoxy-3-methylbutanoyl)-propylamino]oxolane-3-carboxylic acid
CID 103018900
4-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-ethylamino]oxolane-3-carboxylic acid
CID 66247220
4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 106316119
4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid
CID 82985265

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propylamino]oxolane-3-carboxylic acid (CID 66251659) is 4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propylamino]oxolane-3-carboxylic acid is CCCN(C(=O)CN1CSCC1=O)C1COCC1C(=O)O.
What is the InChIKey of 4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propylamino]oxolane-3-carboxylic acid?
The InChIKey is DJRFRFSFKZAKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-2-3-15(10-6-20-5-9(10)13(18)19)11(16)4-14-8-21-7-12(14)17/h9-10H,2-8H2,1H3,(H,18,19).
What are the key properties of 4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propylamino]oxolane-3-carboxylic acid?
4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propylamino]oxolane-3-carboxylic acid has a molecular weight of 316.38 g/mol, XLogP of -0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66251659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).