(4R)-3-(3-amino-2-methyl-3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid

C14H18N2O3S — CID 80552142

IUPAC(4R)-3-(3-amino-2-methyl-3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C(=O)N1CSC[C@H]1C(=O)O)C(N)c1ccccc1
InChIInChI=1S/C14H18N2O3S/c1-9(12(15)10-5-3-2-4-6-10)13(17)16-8-20-7-11(16)14(18)19/h2-6,9,11-12H,7-8,15H2,1H3,(H,18,19)/t9?,11-,12?/m0/s1
InChIKeyFBLXESLDUPGUEZ-ZYXZCXLHSA-N
MW294.38 g/mol
LogP1.31
Rot. Bonds4

About (4R)-3-(3-amino-2-methyl-3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(3-amino-2-methyl-3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 80552142) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is (4R)-3-(3-amino-2-methyl-3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(3-amino-2-methyl-3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID80552142
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name(4R)-3-(3-amino-2-methyl-3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C(=O)N1CSC[C@H]1C(=O)O)C(N)c1ccccc1
InChIInChI=1S/C14H18N2O3S/c1-9(12(15)10-5-3-2-4-6-10)13(17)16-8-20-7-11(16)14(18)19/h2-6,9,11-12H,7-8,15H2,1H3,(H,18,19)/t9?,11-,12?/m0/s1
InChIKeyFBLXESLDUPGUEZ-ZYXZCXLHSA-N
XLogP1.31
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxy-2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 43809178
1-(3-amino-2-methyl-3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 80552235
3-amino-2-methyl-1-(3-methylthiomorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119785840
(4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61189106
(4R)-3-(2-amino-4-phenylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 104984151
(4R)-3-[(2S)-2-amino-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 104984152
1-(3-amino-2-methyl-3-phenylpropanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 80546825
(4R)-3-[2-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61143308
(4R)-3-[2-[2-(carboxymethylsulfanyl)phenyl]propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 70477952
(4S)-3-(2-methylpropanoyl)-N-[(1R)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 809737
3-(2-amino-3-methylpentanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61157451
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3-amino-2-methyl-3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(3-amino-2-methyl-3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid (CID 80552142) is (4R)-3-(3-amino-2-methyl-3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(3-amino-2-methyl-3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(3-amino-2-methyl-3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid is CC(C(=O)N1CSC[C@H]1C(=O)O)C(N)c1ccccc1.
What is the InChIKey of (4R)-3-(3-amino-2-methyl-3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FBLXESLDUPGUEZ-ZYXZCXLHSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-9(12(15)10-5-3-2-4-6-10)13(17)16-8-20-7-11(16)14(18)19/h2-6,9,11-12H,7-8,15H2,1H3,(H,18,19)/t9?,11-,12?/m0/s1.
What are the key properties of (4R)-3-(3-amino-2-methyl-3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(3-amino-2-methyl-3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 294.38 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(3-amino-2-methyl-3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 80552142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).