ethyl (4R)-1-oxo-1,3-thiazolidine-4-carboxylate

C6H11NO3S — CID 175673410

IUPACethyl (4R)-1-oxo-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)[C@@H]1CS(=O)CN1
InChIInChI=1S/C6H11NO3S/c1-2-10-6(8)5-3-11(9)4-7-5/h5,7H,2-4H2,1H3/t5-,11?/m0/s1
InChIKeyNVHUCMHJPJLUIM-ITZCMCNPSA-N
MW177.22 g/mol
LogP-0.77
Rot. Bonds2

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

ethyl (4R)-1-oxo-1,3-thiazolidine-4-carboxylate (PubChem CID 175673410) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is ethyl (4R)-1-oxo-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-1-oxo-1,3-thiazolidine-4-carboxylate
PubChem CID175673410
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC Nameethyl (4R)-1-oxo-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)[C@@H]1CS(=O)CN1
InChIInChI=1S/C6H11NO3S/c1-2-10-6(8)5-3-11(9)4-7-5/h5,7H,2-4H2,1H3/t5-,11?/m0/s1
InChIKeyNVHUCMHJPJLUIM-ITZCMCNPSA-N
XLogP-0.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride
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ethyl 4-ethylpyrrolidine-2-carboxylate;hydrochloride
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diethyl (2R,4S)-piperidine-2,4-dicarboxylate
CID 95970372
ethyl 4-methoxypyrrolidine-2-carboxylate
CID 43119085
ethyl 5-cyclopropylpyrazolidine-3-carboxylate
CID 19261694
ethyl (3R)-morpholine-3-carboxylate
CID 46839508
ethyl 5-acetylpyrazolidine-3-carboxylate
CID 170905904
(2S,5S)-5-ethoxycarbonylpyrrolidine-2-carboxylic acid
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ethyl (2S)-5-aminopyrrolidine-2-carboxylate
CID 118106276

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-1-oxo-1,3-thiazolidine-4-carboxylate?
The IUPAC name of ethyl (4R)-1-oxo-1,3-thiazolidine-4-carboxylate (CID 175673410) is ethyl (4R)-1-oxo-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethyl (4R)-1-oxo-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethyl (4R)-1-oxo-1,3-thiazolidine-4-carboxylate is CCOC(=O)[C@@H]1CS(=O)CN1.
What is the InChIKey of ethyl (4R)-1-oxo-1,3-thiazolidine-4-carboxylate?
The InChIKey is NVHUCMHJPJLUIM-ITZCMCNPSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-2-10-6(8)5-3-11(9)4-7-5/h5,7H,2-4H2,1H3/t5-,11?/m0/s1.
What are the key properties of ethyl (4R)-1-oxo-1,3-thiazolidine-4-carboxylate?
ethyl (4R)-1-oxo-1,3-thiazolidine-4-carboxylate has a molecular weight of 177.22 g/mol, XLogP of -0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-1-oxo-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 175673410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).