3-[3-(1,3-thiazolidine-4-carbonylamino)phenyl]propanoic acid

C13H16N2O3S — CID 115339862

IUPAC3-[3-(1,3-thiazolidine-4-carbonylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)C2CSCN2)c1
InChIInChI=1S/C13H16N2O3S/c16-12(17)5-4-9-2-1-3-10(6-9)15-13(18)11-7-19-8-14-11/h1-3,6,11,14H,4-5,7-8H2,(H,15,18)(H,16,17)
InChIKeyFQNFMBYBJBHZBK-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.30
Rot. Bonds5

About 3-[3-(1,3-thiazolidine-4-carbonylamino)phenyl]propanoic acid

3-[3-(1,3-thiazolidine-4-carbonylamino)phenyl]propanoic acid (PubChem CID 115339862) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-[3-(1,3-thiazolidine-4-carbonylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-(1,3-thiazolidine-4-carbonylamino)phenyl]propanoic acid
PubChem CID115339862
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name3-[3-(1,3-thiazolidine-4-carbonylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)C2CSCN2)c1
InChIInChI=1S/C13H16N2O3S/c16-12(17)5-4-9-2-1-3-10(6-9)15-13(18)11-7-19-8-14-11/h1-3,6,11,14H,4-5,7-8H2,(H,15,18)(H,16,17)
InChIKeyFQNFMBYBJBHZBK-UHFFFAOYSA-N
XLogP1.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24703459
N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119853195
N-[3-(propan-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119306269
N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839
N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61250253
N-(3-pyrrol-1-ylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43713195
N-[3-(ethylcarbamoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119307462
N-[3-(2-fluoroethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119337978
N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119294213
3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid
CID 115339856
N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61258442
N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 54862152

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,3-thiazolidine-4-carbonylamino)phenyl]propanoic acid?
The IUPAC name of 3-[3-(1,3-thiazolidine-4-carbonylamino)phenyl]propanoic acid (CID 115339862) is 3-[3-(1,3-thiazolidine-4-carbonylamino)phenyl]propanoic acid.
What is the SMILES notation for 3-[3-(1,3-thiazolidine-4-carbonylamino)phenyl]propanoic acid?
The canonical SMILES for 3-[3-(1,3-thiazolidine-4-carbonylamino)phenyl]propanoic acid is O=C(O)CCc1cccc(NC(=O)C2CSCN2)c1.
What is the InChIKey of 3-[3-(1,3-thiazolidine-4-carbonylamino)phenyl]propanoic acid?
The InChIKey is FQNFMBYBJBHZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c16-12(17)5-4-9-2-1-3-10(6-9)15-13(18)11-7-19-8-14-11/h1-3,6,11,14H,4-5,7-8H2,(H,15,18)(H,16,17).
What are the key properties of 3-[3-(1,3-thiazolidine-4-carbonylamino)phenyl]propanoic acid?
3-[3-(1,3-thiazolidine-4-carbonylamino)phenyl]propanoic acid has a molecular weight of 280.35 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,3-thiazolidine-4-carbonylamino)phenyl]propanoic acid is sourced from PubChem (CID 115339862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).