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

C12H14N2O3S — CID 54587081

IUPAC(4R)-3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
SMILESNCC(=O)N1C(c2ccccc2)SC[C@H]1C(=O)O
InChIInChI=1S/C12H14N2O3S/c13-6-10(15)14-9(12(16)17)7-18-11(14)8-4-2-1-3-5-8/h1-5,9,11H,6-7,13H2,(H,16,17)/t9-,11?/m0/s1
InChIKeyXTZYJEHDSZEADM-FTNKSUMCSA-N
MW266.32 g/mol
LogP0.67
Rot. Bonds3

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

(4R)-3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 54587081) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is (4R)-3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID54587081
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name(4R)-3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
SMILESNCC(=O)N1C(c2ccccc2)SC[C@H]1C(=O)O
InChIInChI=1S/C12H14N2O3S/c13-6-10(15)14-9(12(16)17)7-18-11(14)8-4-2-1-3-5-8/h1-5,9,11H,6-7,13H2,(H,16,17)/t9-,11?/m0/s1
InChIKeyXTZYJEHDSZEADM-FTNKSUMCSA-N
XLogP0.67
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid (CID 54587081) is (4R)-3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid is NCC(=O)N1C(c2ccccc2)SC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is XTZYJEHDSZEADM-FTNKSUMCSA-N. The full InChI is InChI=1S/C12H14N2O3S/c13-6-10(15)14-9(12(16)17)7-18-11(14)8-4-2-1-3-5-8/h1-5,9,11H,6-7,13H2,(H,16,17)/t9-,11?/m0/s1.
What are the key properties of (4R)-3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 266.32 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 54587081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).