3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid

C8H11NO5S — CID 43092733

IUPAC3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid
SMILESO=C(O)CCSCC(=O)N1CCOC1=O
InChIInChI=1S/C8H11NO5S/c10-6(5-15-4-1-7(11)12)9-2-3-14-8(9)13/h1-5H2,(H,11,12)
InChIKeyKGQLLDUXYQYAPU-UHFFFAOYSA-N
MW233.24 g/mol
LogP0.17
Rot. Bonds5

About 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid

3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid (PubChem CID 43092733) has the molecular formula C8H11NO5S and a molecular weight of 233.24 g/mol. Its IUPAC name is 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid
PubChem CID43092733
Molecular FormulaC8H11NO5S
Molecular Weight233.24 g/mol
Exact Mass233.04
IUPAC Name3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid
SMILESO=C(O)CCSCC(=O)N1CCOC1=O
InChIInChI=1S/C8H11NO5S/c10-6(5-15-4-1-7(11)12)9-2-3-14-8(9)13/h1-5H2,(H,11,12)
InChIKeyKGQLLDUXYQYAPU-UHFFFAOYSA-N
XLogP0.17
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid?
The IUPAC name of 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid (CID 43092733) is 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid.
What is the SMILES notation for 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid?
The canonical SMILES for 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid is O=C(O)CCSCC(=O)N1CCOC1=O.
What is the InChIKey of 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid?
The InChIKey is KGQLLDUXYQYAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5S/c10-6(5-15-4-1-7(11)12)9-2-3-14-8(9)13/h1-5H2,(H,11,12).
What are the key properties of 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid?
3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid has a molecular weight of 233.24 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid is sourced from PubChem (CID 43092733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).