ethyl (2S)-2-(2,5-dioxo-1,3-oxazolidin-3-yl)pentanoate

C10H15NO5 — CID 143515879

IUPACethyl (2S)-2-(2,5-dioxo-1,3-oxazolidin-3-yl)pentanoate
SMILESCCC[C@@H](C(=O)OCC)N1CC(=O)OC1=O
InChIInChI=1S/C10H15NO5/c1-3-5-7(9(13)15-4-2)11-6-8(12)16-10(11)14/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyVLYBMUADHMLIFW-ZETCQYMHSA-N
MW229.23 g/mol
LogP0.70
Rot. Bonds5

About ethyl (2S)-2-(2,5-dioxo-1,3-oxazolidin-3-yl)pentanoate

ethyl (2S)-2-(2,5-dioxo-1,3-oxazolidin-3-yl)pentanoate (PubChem CID 143515879) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is ethyl (2S)-2-(2,5-dioxo-1,3-oxazolidin-3-yl)pentanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(2,5-dioxo-1,3-oxazolidin-3-yl)pentanoate
PubChem CID143515879
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Nameethyl (2S)-2-(2,5-dioxo-1,3-oxazolidin-3-yl)pentanoate
SMILESCCC[C@@H](C(=O)OCC)N1CC(=O)OC1=O
InChIInChI=1S/C10H15NO5/c1-3-5-7(9(13)15-4-2)11-6-8(12)16-10(11)14/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyVLYBMUADHMLIFW-ZETCQYMHSA-N
XLogP0.70
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(2,5-dioxo-1,3-oxazolidin-3-yl)pentanoate?
The IUPAC name of ethyl (2S)-2-(2,5-dioxo-1,3-oxazolidin-3-yl)pentanoate (CID 143515879) is ethyl (2S)-2-(2,5-dioxo-1,3-oxazolidin-3-yl)pentanoate.
What is the SMILES notation for ethyl (2S)-2-(2,5-dioxo-1,3-oxazolidin-3-yl)pentanoate?
The canonical SMILES for ethyl (2S)-2-(2,5-dioxo-1,3-oxazolidin-3-yl)pentanoate is CCC[C@@H](C(=O)OCC)N1CC(=O)OC1=O.
What is the InChIKey of ethyl (2S)-2-(2,5-dioxo-1,3-oxazolidin-3-yl)pentanoate?
The InChIKey is VLYBMUADHMLIFW-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15NO5/c1-3-5-7(9(13)15-4-2)11-6-8(12)16-10(11)14/h7H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of ethyl (2S)-2-(2,5-dioxo-1,3-oxazolidin-3-yl)pentanoate?
ethyl (2S)-2-(2,5-dioxo-1,3-oxazolidin-3-yl)pentanoate has a molecular weight of 229.23 g/mol, XLogP of 0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(2,5-dioxo-1,3-oxazolidin-3-yl)pentanoate is sourced from PubChem (CID 143515879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).