(4R)-3-(2-aminoacetyl)-2-(4-cyanophenyl)-1,3-thiazolidine-4-carboxylic acid

C13H13N3O3S — CID 54582235

IUPAC(4R)-3-(2-aminoacetyl)-2-(4-cyanophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESN#Cc1ccc(C2SC[C@@H](C(=O)O)N2C(=O)CN)cc1
InChIInChI=1S/C13H13N3O3S/c14-5-8-1-3-9(4-2-8)12-16(11(17)6-15)10(7-20-12)13(18)19/h1-4,10,12H,6-7,15H2,(H,18,19)/t10-,12?/m0/s1
InChIKeyVPJUITGJQLAISK-NUHJPDEHSA-N
MW291.33 g/mol
LogP0.54
Rot. Bonds3

About (4R)-3-(2-aminoacetyl)-2-(4-cyanophenyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(2-aminoacetyl)-2-(4-cyanophenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 54582235) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is (4R)-3-(2-aminoacetyl)-2-(4-cyanophenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(2-aminoacetyl)-2-(4-cyanophenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID54582235
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name(4R)-3-(2-aminoacetyl)-2-(4-cyanophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESN#Cc1ccc(C2SC[C@@H](C(=O)O)N2C(=O)CN)cc1
InChIInChI=1S/C13H13N3O3S/c14-5-8-1-3-9(4-2-8)12-16(11(17)6-15)10(7-20-12)13(18)19/h1-4,10,12H,6-7,15H2,(H,18,19)/t10-,12?/m0/s1
InChIKeyVPJUITGJQLAISK-NUHJPDEHSA-N
XLogP0.54
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2-aminoacetyl)-2-(4-cyanophenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(2-aminoacetyl)-2-(4-cyanophenyl)-1,3-thiazolidine-4-carboxylic acid (CID 54582235) is (4R)-3-(2-aminoacetyl)-2-(4-cyanophenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(2-aminoacetyl)-2-(4-cyanophenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(2-aminoacetyl)-2-(4-cyanophenyl)-1,3-thiazolidine-4-carboxylic acid is N#Cc1ccc(C2SC[C@@H](C(=O)O)N2C(=O)CN)cc1.
What is the InChIKey of (4R)-3-(2-aminoacetyl)-2-(4-cyanophenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VPJUITGJQLAISK-NUHJPDEHSA-N. The full InChI is InChI=1S/C13H13N3O3S/c14-5-8-1-3-9(4-2-8)12-16(11(17)6-15)10(7-20-12)13(18)19/h1-4,10,12H,6-7,15H2,(H,18,19)/t10-,12?/m0/s1.
What are the key properties of (4R)-3-(2-aminoacetyl)-2-(4-cyanophenyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(2-aminoacetyl)-2-(4-cyanophenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 291.33 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2-aminoacetyl)-2-(4-cyanophenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 54582235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).