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

C12H14N2O4S — CID 53248660

IUPAC(4R)-3-(2-aminoacetyl)-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNCC(=O)N1C(c2ccccc2O)SC[C@H]1C(=O)O
InChIInChI=1S/C12H14N2O4S/c13-5-10(16)14-8(12(17)18)6-19-11(14)7-3-1-2-4-9(7)15/h1-4,8,11,15H,5-6,13H2,(H,17,18)/t8-,11?/m0/s1
InChIKeyCUZMMNLHWFJWNN-YMNIQAILSA-N
MW282.32 g/mol
LogP0.38
Rot. Bonds3

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

(4R)-3-(2-aminoacetyl)-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 53248660) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is (4R)-3-(2-aminoacetyl)-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(2-aminoacetyl)-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID53248660
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name(4R)-3-(2-aminoacetyl)-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNCC(=O)N1C(c2ccccc2O)SC[C@H]1C(=O)O
InChIInChI=1S/C12H14N2O4S/c13-5-10(16)14-8(12(17)18)6-19-11(14)7-3-1-2-4-9(7)15/h1-4,8,11,15H,5-6,13H2,(H,17,18)/t8-,11?/m0/s1
InChIKeyCUZMMNLHWFJWNN-YMNIQAILSA-N
XLogP0.38
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2-aminoacetyl)-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(2-aminoacetyl)-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid (CID 53248660) is (4R)-3-(2-aminoacetyl)-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(2-aminoacetyl)-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(2-aminoacetyl)-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid is NCC(=O)N1C(c2ccccc2O)SC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-(2-aminoacetyl)-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is CUZMMNLHWFJWNN-YMNIQAILSA-N. The full InChI is InChI=1S/C12H14N2O4S/c13-5-10(16)14-8(12(17)18)6-19-11(14)7-3-1-2-4-9(7)15/h1-4,8,11,15H,5-6,13H2,(H,17,18)/t8-,11?/m0/s1.
What are the key properties of (4R)-3-(2-aminoacetyl)-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(2-aminoacetyl)-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 282.32 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2-aminoacetyl)-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 53248660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).