ethyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate

C10H19NO2S — CID 101085544

IUPACethyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)[C@@H]1CSC(CC)(CC)N1
InChIInChI=1S/C10H19NO2S/c1-4-10(5-2)11-8(7-14-10)9(12)13-6-3/h8,11H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyZZYIACXGXCNDTE-QMMMGPOBSA-N
MW217.33 g/mol
LogP1.77
Rot. Bonds4

About ethyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate

ethyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate (PubChem CID 101085544) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is ethyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate
PubChem CID101085544
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Nameethyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)[C@@H]1CSC(CC)(CC)N1
InChIInChI=1S/C10H19NO2S/c1-4-10(5-2)11-8(7-14-10)9(12)13-6-3/h8,11H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyZZYIACXGXCNDTE-QMMMGPOBSA-N
XLogP1.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Letosteine
CID 68707
ethyl (4R)-2-oxo-1,3-thiazolidine-4-carboxylate
CID 477571
4-Thiazolidinecarboxylic acid, methyl ester
CID 93329
Methyl thiazolidine-4-carboxylate hydrochloride
CID 170893
methyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate
CID 45082403
(4R)-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
CID 24749364
Ethyl thiazolidine-4-carboxylate
CID 103574
4-Thiazolidinecarboxylic acid, 2-methyl-2-(2-(2-methyl-1,3-dithiolan-2-yl)ethyl)-, ethyl ester
CID 3074293
ethyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate
CID 54231762
Ethyl 2-oxo-1,3-thiazolidine-4-carboxylate
CID 4176264
Methyl 2-methyl-1,3-thiazolidine-4-carboxylate
CID 14377868
Ethyl L-thiazolidine-4-carboxylate hydrochloride
CID 45357993

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of ethyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate (CID 101085544) is ethyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate is CCOC(=O)[C@@H]1CSC(CC)(CC)N1.
What is the InChIKey of ethyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is ZZYIACXGXCNDTE-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-4-10(5-2)11-8(7-14-10)9(12)13-6-3/h8,11H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of ethyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate?
ethyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 217.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-2,2-diethyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 101085544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).