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

C14H18N2O3S — CID 104984151

IUPAC(4R)-3-(2-amino-4-phenylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNC(CCc1ccccc1)C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C14H18N2O3S/c15-11(7-6-10-4-2-1-3-5-10)13(17)16-9-20-8-12(16)14(18)19/h1-5,11-12H,6-9,15H2,(H,18,19)/t11?,12-/m0/s1
InChIKeyCFKKELBCQOBNSW-KIYNQFGBSA-N
MW294.38 g/mol
LogP0.93
Rot. Bonds5

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

(4R)-3-(2-amino-4-phenylbutanoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 104984151) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is (4R)-3-(2-amino-4-phenylbutanoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(2-amino-4-phenylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID104984151
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name(4R)-3-(2-amino-4-phenylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNC(CCc1ccccc1)C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C14H18N2O3S/c15-11(7-6-10-4-2-1-3-5-10)13(17)16-9-20-8-12(16)14(18)19/h1-5,11-12H,6-9,15H2,(H,18,19)/t11?,12-/m0/s1
InChIKeyCFKKELBCQOBNSW-KIYNQFGBSA-N
XLogP0.93
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-[(2S)-2-amino-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 104984152
(2S,4R)-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104984416
(2S)-1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-2-carboxylic acid
CID 104984557
3-(2-amino-3-carboxypropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 64895742
4-[(2S)-2-amino-3-phenylpropanoyl]thiomorpholine-3-carboxylic acid
CID 82905155
4-(2-amino-3-phenylpropanoyl)thiomorpholine-3-carboxylic acid
CID 82904921
(2S,4R)-1-(2-amino-4-phenylbutanoyl)-4-cyclohexylpyrrolidine-2-carboxylic acid
CID 175083881
(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
2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one
CID 114925089
(4S)-3-[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 18397279
1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-4-carboxylic acid
CID 104984119

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2-amino-4-phenylbutanoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(2-amino-4-phenylbutanoyl)-1,3-thiazolidine-4-carboxylic acid (CID 104984151) is (4R)-3-(2-amino-4-phenylbutanoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(2-amino-4-phenylbutanoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(2-amino-4-phenylbutanoyl)-1,3-thiazolidine-4-carboxylic acid is NC(CCc1ccccc1)C(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-(2-amino-4-phenylbutanoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is CFKKELBCQOBNSW-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H18N2O3S/c15-11(7-6-10-4-2-1-3-5-10)13(17)16-9-20-8-12(16)14(18)19/h1-5,11-12H,6-9,15H2,(H,18,19)/t11?,12-/m0/s1.
What are the key properties of (4R)-3-(2-amino-4-phenylbutanoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(2-amino-4-phenylbutanoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 294.38 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2-amino-4-phenylbutanoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 104984151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).