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

C10H17NO3S — CID 101212864

IUPACethyl (4R)-3-acetyl-2-ethyl-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)[C@@H]1CSC(CC)N1C(C)=O
InChIInChI=1S/C10H17NO3S/c1-4-9-11(7(3)12)8(6-15-9)10(13)14-5-2/h8-9H,4-6H2,1-3H3/t8-,9?/m0/s1
InChIKeyZRJZZRHZKJCDNP-IENPIDJESA-N
MW231.32 g/mol
LogP1.25
Rot. Bonds3

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

ethyl (4R)-3-acetyl-2-ethyl-1,3-thiazolidine-4-carboxylate (PubChem CID 101212864) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is ethyl (4R)-3-acetyl-2-ethyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-3-acetyl-2-ethyl-1,3-thiazolidine-4-carboxylate
PubChem CID101212864
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Nameethyl (4R)-3-acetyl-2-ethyl-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)[C@@H]1CSC(CC)N1C(C)=O
InChIInChI=1S/C10H17NO3S/c1-4-9-11(7(3)12)8(6-15-9)10(13)14-5-2/h8-9H,4-6H2,1-3H3/t8-,9?/m0/s1
InChIKeyZRJZZRHZKJCDNP-IENPIDJESA-N
XLogP1.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-3-acetyl-2-ethyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of ethyl (4R)-3-acetyl-2-ethyl-1,3-thiazolidine-4-carboxylate (CID 101212864) is ethyl (4R)-3-acetyl-2-ethyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethyl (4R)-3-acetyl-2-ethyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethyl (4R)-3-acetyl-2-ethyl-1,3-thiazolidine-4-carboxylate is CCOC(=O)[C@@H]1CSC(CC)N1C(C)=O.
What is the InChIKey of ethyl (4R)-3-acetyl-2-ethyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is ZRJZZRHZKJCDNP-IENPIDJESA-N. The full InChI is InChI=1S/C10H17NO3S/c1-4-9-11(7(3)12)8(6-15-9)10(13)14-5-2/h8-9H,4-6H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of ethyl (4R)-3-acetyl-2-ethyl-1,3-thiazolidine-4-carboxylate?
ethyl (4R)-3-acetyl-2-ethyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 231.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-3-acetyl-2-ethyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 101212864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).