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

C6H8ClNO3S — CID 93494384

IUPAC(4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)CCl
InChIInChI=1S/C6H8ClNO3S/c7-1-5(9)8-3-12-2-4(8)6(10)11/h4H,1-3H2,(H,10,11)/t4-/m0/s1
InChIKeyIQUNAOSVGUETJE-BYPYZUCNSA-N
MW209.65 g/mol
LogP0.21
Rot. Bonds2

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

(4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 93494384) has the molecular formula C6H8ClNO3S and a molecular weight of 209.65 g/mol. Its IUPAC name is (4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID93494384
Molecular FormulaC6H8ClNO3S
Molecular Weight209.65 g/mol
Exact Mass208.99
IUPAC Name(4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)CCl
InChIInChI=1S/C6H8ClNO3S/c7-1-5(9)8-3-12-2-4(8)6(10)11/h4H,1-3H2,(H,10,11)/t4-/m0/s1
InChIKeyIQUNAOSVGUETJE-BYPYZUCNSA-N
XLogP0.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.65
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(4R)-3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161157
3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61157082
3-[3-(cyclopropylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61158757
(4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62837022
3-(7-aminoheptanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61158002
(4R)-3-(6-aminohexanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161160
3-(1-aminocyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 65466419
3-[2-[(2-aminoacetyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61159117
(4R)-3-(6-acetamidohexanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143319
(4S)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 59927103
(4R)-3-(2-thiomorpholin-3-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 66421279
(4R)-3-(2-chloro-2,2-difluoroacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 53215684

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid (CID 93494384) is (4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)CCl.
What is the InChIKey of (4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is IQUNAOSVGUETJE-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8ClNO3S/c7-1-5(9)8-3-12-2-4(8)6(10)11/h4H,1-3H2,(H,10,11)/t4-/m0/s1.
What are the key properties of (4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 209.65 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 93494384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).