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

C13H16N2O3S — CID 55128819

IUPAC2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)C1CSCN1
InChIInChI=1S/C13H16N2O3S/c16-12(11-7-19-8-15-11)14-6-10(13(17)18)9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H,14,16)(H,17,18)
InChIKeyQOVGLQDVVIMEHK-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.63
Rot. Bonds5

About 2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid

2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid (PubChem CID 55128819) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid
PubChem CID55128819
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)C1CSCN1
InChIInChI=1S/C13H16N2O3S/c16-12(11-7-19-8-15-11)14-6-10(13(17)18)9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H,14,16)(H,17,18)
InChIKeyQOVGLQDVVIMEHK-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119828799
2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 104901121
2-phenyl-3-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
CID 104913877
N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 107863284
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
N-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide
CID 43707143
N-(3-cyclopropyl-3-phenylpropyl)-1,3-thiazolidine-4-carboxamide
CID 110661652
(4R)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
CID 124596361
(4S)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
CID 124596363
N-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide
CID 119902120
N-[2-(dimethylamino)-2-phenylethyl]thiomorpholine-3-carboxamide
CID 82908479
N-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;trihydrochloride
CID 119902119

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid?
The IUPAC name of 2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid (CID 55128819) is 2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid.
What is the SMILES notation for 2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid?
The canonical SMILES for 2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid is O=C(NCC(C(=O)O)c1ccccc1)C1CSCN1.
What is the InChIKey of 2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid?
The InChIKey is QOVGLQDVVIMEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c16-12(11-7-19-8-15-11)14-6-10(13(17)18)9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H,14,16)(H,17,18).
What are the key properties of 2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid?
2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid has a molecular weight of 280.35 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid is sourced from PubChem (CID 55128819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).