3-[(3R)-3-(2-hydroxyethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one

C9H15NO4S — CID 164686593

IUPAC3-[(3R)-3-(2-hydroxyethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CC(=O)N1CCOC1=O)SCCO
InChIInChI=1S/C9H15NO4S/c1-7(15-5-3-11)6-8(12)10-2-4-14-9(10)13/h7,11H,2-6H2,1H3/t7-/m1/s1
InChIKeyRNLIXLFYLLHXRN-SSDOTTSWSA-N
MW233.29 g/mol
LogP0.47
Rot. Bonds5

About 3-[(3R)-3-(2-hydroxyethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one

3-[(3R)-3-(2-hydroxyethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one (PubChem CID 164686593) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-[(3R)-3-(2-hydroxyethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-(2-hydroxyethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one
PubChem CID164686593
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Name3-[(3R)-3-(2-hydroxyethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CC(=O)N1CCOC1=O)SCCO
InChIInChI=1S/C9H15NO4S/c1-7(15-5-3-11)6-8(12)10-2-4-14-9(10)13/h7,11H,2-6H2,1H3/t7-/m1/s1
InChIKeyRNLIXLFYLLHXRN-SSDOTTSWSA-N
XLogP0.47
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-(2-hydroxyethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3R)-3-(2-hydroxyethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one (CID 164686593) is 3-[(3R)-3-(2-hydroxyethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3R)-3-(2-hydroxyethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3R)-3-(2-hydroxyethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one is C[C@H](CC(=O)N1CCOC1=O)SCCO.
What is the InChIKey of 3-[(3R)-3-(2-hydroxyethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one?
The InChIKey is RNLIXLFYLLHXRN-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO4S/c1-7(15-5-3-11)6-8(12)10-2-4-14-9(10)13/h7,11H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of 3-[(3R)-3-(2-hydroxyethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one?
3-[(3R)-3-(2-hydroxyethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one has a molecular weight of 233.29 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-(2-hydroxyethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 164686593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).