tert-butyl 2-[(4S)-3-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]acetate

C10H15NO5 — CID 59154467

IUPACtert-butyl 2-[(4S)-3-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]acetate
SMILESCN1C(=O)OC(=O)[C@@H]1CC(=O)OC(C)(C)C
InChIInChI=1S/C10H15NO5/c1-10(2,3)16-7(12)5-6-8(13)15-9(14)11(6)4/h6H,5H2,1-4H3/t6-/m0/s1
InChIKeyDVLAPWAXXJSTAY-LURJTMIESA-N
MW229.23 g/mol
LogP0.70
Rot. Bonds2

About tert-butyl 2-[(4S)-3-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]acetate

tert-butyl 2-[(4S)-3-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]acetate (PubChem CID 59154467) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is tert-butyl 2-[(4S)-3-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4S)-3-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]acetate
PubChem CID59154467
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Nametert-butyl 2-[(4S)-3-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]acetate
SMILESCN1C(=O)OC(=O)[C@@H]1CC(=O)OC(C)(C)C
InChIInChI=1S/C10H15NO5/c1-10(2,3)16-7(12)5-6-8(13)15-9(14)11(6)4/h6H,5H2,1-4H3/t6-/m0/s1
InChIKeyDVLAPWAXXJSTAY-LURJTMIESA-N
XLogP0.70
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
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 tert-butyl 2-[(4S)-3-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]acetate?
The IUPAC name of tert-butyl 2-[(4S)-3-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]acetate (CID 59154467) is tert-butyl 2-[(4S)-3-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(4S)-3-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]acetate?
The canonical SMILES for tert-butyl 2-[(4S)-3-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]acetate is CN1C(=O)OC(=O)[C@@H]1CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(4S)-3-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]acetate?
The InChIKey is DVLAPWAXXJSTAY-LURJTMIESA-N. The full InChI is InChI=1S/C10H15NO5/c1-10(2,3)16-7(12)5-6-8(13)15-9(14)11(6)4/h6H,5H2,1-4H3/t6-/m0/s1.
What are the key properties of tert-butyl 2-[(4S)-3-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]acetate?
tert-butyl 2-[(4S)-3-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]acetate has a molecular weight of 229.23 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4S)-3-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]acetate is sourced from PubChem (CID 59154467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).