ethyl 4-[(4R)-2-oxo-4-phenyloxathiazolidin-3-yl]butanoate

C14H19NO4S — CID 153315857

IUPACethyl 4-[(4R)-2-oxo-4-phenyloxathiazolidin-3-yl]butanoate
SMILESCCOC(=O)CCCN1[C@H](c2ccccc2)COS1=O
InChIInChI=1S/C14H19NO4S/c1-2-18-14(16)9-6-10-15-13(11-19-20(15)17)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3/t13-,20?/m0/s1
InChIKeyWQSZJWQXFROPHT-SZQRVLIRSA-N
MW297.38 g/mol
LogP1.98
Rot. Bonds6

About ethyl 4-[(4R)-2-oxo-4-phenyloxathiazolidin-3-yl]butanoate

ethyl 4-[(4R)-2-oxo-4-phenyloxathiazolidin-3-yl]butanoate (PubChem CID 153315857) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is ethyl 4-[(4R)-2-oxo-4-phenyloxathiazolidin-3-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-[(4R)-2-oxo-4-phenyloxathiazolidin-3-yl]butanoate
PubChem CID153315857
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Nameethyl 4-[(4R)-2-oxo-4-phenyloxathiazolidin-3-yl]butanoate
SMILESCCOC(=O)CCCN1[C@H](c2ccccc2)COS1=O
InChIInChI=1S/C14H19NO4S/c1-2-18-14(16)9-6-10-15-13(11-19-20(15)17)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3/t13-,20?/m0/s1
InChIKeyWQSZJWQXFROPHT-SZQRVLIRSA-N
XLogP1.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[(4R)-2-oxo-4-phenyloxathiazolidin-3-yl]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 9-[(2R,3R)-3-phenyloxiran-2-yl]nonanoate
CID 10590631
ethyl 5-oxo-5-[(2S,3R)-3-phenyloxiran-2-yl]pentanoate
CID 15835903
ethyl 1-methyl-5-phenylpyrrolidine-2-carboxylate
CID 14031444
ethyl 4-[(2R,3R,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]butanoate
CID 56889892
ethyl 5,5-difluoro-5-phenylpentanoate
CID 132538459
ethyl 3-(6,8-dioxo-7-phenyl-1,3,4,8a-tetrahydropyrrolo[1,2-a]pyrazin-2-yl)propanoate
CID 102170560
ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate
CID 110922539
ethyl 5-phenylhex-5-enoate
CID 146276439
ethyl 2-[(3S,5S,7aR)-3-phenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazol-5-yl]acetate
CID 10731104
ethyl 3-oxo-3-[(2R,4R)-4-phenyl-2-[(2R,3S)-3-phenyloxiran-2-yl]-1,3-oxazolidin-3-yl]propanoate
CID 11058025
(6-ethoxy-6-oxohexyl)-triphenylphosphanium
CID 10345272
ethyl (2R,4R)-2-[(1R)-1-hydroxy-2-methylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 11077224

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4R)-2-oxo-4-phenyloxathiazolidin-3-yl]butanoate?
The IUPAC name of ethyl 4-[(4R)-2-oxo-4-phenyloxathiazolidin-3-yl]butanoate (CID 153315857) is ethyl 4-[(4R)-2-oxo-4-phenyloxathiazolidin-3-yl]butanoate.
What is the SMILES notation for ethyl 4-[(4R)-2-oxo-4-phenyloxathiazolidin-3-yl]butanoate?
The canonical SMILES for ethyl 4-[(4R)-2-oxo-4-phenyloxathiazolidin-3-yl]butanoate is CCOC(=O)CCCN1[C@H](c2ccccc2)COS1=O.
What is the InChIKey of ethyl 4-[(4R)-2-oxo-4-phenyloxathiazolidin-3-yl]butanoate?
The InChIKey is WQSZJWQXFROPHT-SZQRVLIRSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-2-18-14(16)9-6-10-15-13(11-19-20(15)17)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3/t13-,20?/m0/s1.
What are the key properties of ethyl 4-[(4R)-2-oxo-4-phenyloxathiazolidin-3-yl]butanoate?
ethyl 4-[(4R)-2-oxo-4-phenyloxathiazolidin-3-yl]butanoate has a molecular weight of 297.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4R)-2-oxo-4-phenyloxathiazolidin-3-yl]butanoate is sourced from PubChem (CID 153315857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).