methyl 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbutanoate

C10H15NO5S — CID 66112828

IUPACmethyl 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbutanoate
SMILESCOC(=O)CC(C)SCC(=O)N1CCOC1=O
InChIInChI=1S/C10H15NO5S/c1-7(5-9(13)15-2)17-6-8(12)11-3-4-16-10(11)14/h7H,3-6H2,1-2H3
InChIKeyGUIBEGAVYOWPFM-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.65
Rot. Bonds5

About methyl 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbutanoate

methyl 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbutanoate (PubChem CID 66112828) has the molecular formula C10H15NO5S and a molecular weight of 261.30 g/mol. Its IUPAC name is methyl 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbutanoate.

Molecular Properties

Compound Namemethyl 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbutanoate
PubChem CID66112828
Molecular FormulaC10H15NO5S
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC Namemethyl 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbutanoate
SMILESCOC(=O)CC(C)SCC(=O)N1CCOC1=O
InChIInChI=1S/C10H15NO5S/c1-7(5-9(13)15-2)17-6-8(12)11-3-4-16-10(11)14/h7H,3-6H2,1-2H3
InChIKeyGUIBEGAVYOWPFM-UHFFFAOYSA-N
XLogP0.65
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 3-acetyl-2-ethyl-1,3-thiazolidine-2-carboxylate
CID 21782072
3-[(3S)-3-ethylsulfanylbutanoyl]-1,3-oxazolidin-2-one
CID 134995112
3-[(2S)-2-methyl-3-propylsulfanylpropanoyl]-1,3-oxazolidin-2-one
CID 164674983
3-[(3R)-3-butylsulfanylbutanoyl]-1,3-oxazolidin-2-one
CID 164683865
3-[(3R)-3-(2-hydroxyethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one
CID 164686593
3-O-butyl 2-O-methyl 1,3-thiazolidine-2,3-dicarboxylate
CID 69129083
3-[2-(4-Oxopentylsulfanyl)ethyl]-1,3-oxazolidin-2-one
CID 130256619
3-(2-Methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane
CID 143124051
Ethane;3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane
CID 143124054
3-(3-Butylsulfanylbutanoyl)-1,3-oxazolidin-2-one
CID 11265081
3-[(3S)-3-butylsulfanylbutanoyl]-1,3-oxazolidin-2-one
CID 16742271
3-[2-Oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid
CID 43092733

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbutanoate?
The IUPAC name of methyl 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbutanoate (CID 66112828) is methyl 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbutanoate.
What is the SMILES notation for methyl 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbutanoate?
The canonical SMILES for methyl 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbutanoate is COC(=O)CC(C)SCC(=O)N1CCOC1=O.
What is the InChIKey of methyl 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbutanoate?
The InChIKey is GUIBEGAVYOWPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S/c1-7(5-9(13)15-2)17-6-8(12)11-3-4-16-10(11)14/h7H,3-6H2,1-2H3.
What are the key properties of methyl 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbutanoate?
methyl 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbutanoate has a molecular weight of 261.30 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbutanoate is sourced from PubChem (CID 66112828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).