(4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C13H16N2O3S — CID 61189106

IUPAC(4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(NC(=O)N1CSC[C@H]1C(=O)O)c1ccccc1
InChIInChI=1S/C13H16N2O3S/c1-9(10-5-3-2-4-6-10)14-13(18)15-8-19-7-11(15)12(16)17/h2-6,9,11H,7-8H2,1H3,(H,14,18)(H,16,17)/t9?,11-/m0/s1
InChIKeyZFKUDGPPIDJFSB-UMJHXOGRSA-N
MW280.35 g/mol
LogP1.92
Rot. Bonds3

About (4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61189106) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is (4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61189106
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name(4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(NC(=O)N1CSC[C@H]1C(=O)O)c1ccccc1
InChIInChI=1S/C13H16N2O3S/c1-9(10-5-3-2-4-6-10)14-13(18)15-8-19-7-11(15)12(16)17/h2-6,9,11H,7-8H2,1H3,(H,14,18)(H,16,17)/t9?,11-/m0/s1
InChIKeyZFKUDGPPIDJFSB-UMJHXOGRSA-N
XLogP1.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-pyridin-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61197892
(4S)-3-(2-methylpropanoyl)-N-[(1R)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 809737
(4R)-3-benzoyl-N-[(1S)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 3077631
4-hydroxy-1-(1-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61188920
(4R)-3-(3-amino-2-methyl-3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 80552142
3-(2-hydroxy-2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 43809178
N-(1-phenylethyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 86809261
(4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61196484
(4R)-3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62994926
3-(furan-2-carbonyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 4030871
3-(1-thiophen-3-ylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61475565
4-(1-pyridin-2-ylethylcarbamoyl)thiomorpholine-3-carboxylic acid
CID 82904549

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 61189106) is (4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is CC(NC(=O)N1CSC[C@H]1C(=O)O)c1ccccc1.
What is the InChIKey of (4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZFKUDGPPIDJFSB-UMJHXOGRSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-9(10-5-3-2-4-6-10)14-13(18)15-8-19-7-11(15)12(16)17/h2-6,9,11H,7-8H2,1H3,(H,14,18)(H,16,17)/t9?,11-/m0/s1.
What are the key properties of (4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 280.35 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61189106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).